PubChemLite - 2h-inden-2-one, 1,3-bis[(4-azidophenyl)methylene]-1,3-dihydro- (C23H15N6O)

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C(=O)C(=C2C=C1)C=C3C=CC(=N[N+]#N)C=C3)C=C4C=CC(=NN=N)C=C4

InChI

InChI=1S/C23H15N6O/c24-28-26-17-9-5-15(6-10-17)13-21-19-3-1-2-4-20(19)22(23(21)30)14-16-7-11-18(12-8-16)27-29-25/h1-14,24H/q+1

InChIKey

AQMNXLFUMJSEDI-UHFFFAOYSA-N

Compound name

1-[(4-diazonioiminocyclohexa-2,5-dien-1-ylidene)methyl]-3-[[4-(iminohydrazinylidene)cyclohexa-2,5-dien-1-ylidene]methyl]-2-oxoindene

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	392.13802	208.2
[M+Na]+	414.11996	217.6
[M-H]-	390.12346	220.2
[M+NH4]+	409.16456	220.1
[M+K]+	430.09390	203.2
[M+H-H2O]+	374.12800	192.6
[M+HCOO]-	436.12894	235.1
[M+CH3COO]-	450.14459	238.7
[M+Na-2H]-	412.10541	213.0
[M]+	391.13019	201.2
[M]-	391.13129	201.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

392.13802

208.2

[M+Na]+

414.11996

217.6

[M-H]-

390.12346

220.2

[M+NH4]+

409.16456

220.1

[M+K]+

430.09390

203.2

[M+H-H2O]+

374.12800

192.6

[M+HCOO]-

436.12894

235.1

[M+CH3COO]-

450.14459

238.7

[M+Na-2H]-

412.10541

213.0

[M]+

391.13019

201.2

[M]-

391.13129

201.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2h-inden-2-one, 1,3-bis[(4-azidophenyl)methylene]-1,3-dihydro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe