PubChemLite - Solvent red 197 (C23H19N5O)

Structural Information

Molecular Formula

SMILES

CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=N)N4C3=NC5=CC=CC=C54)C#N)O2

InChI

InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3

InChIKey

FXFIDVQMNRVEGQ-UHFFFAOYSA-N

Compound name

17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile

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]+	382.16625	198.8
[M+Na]+	404.14819	212.9
[M-H]-	380.15169	203.3
[M+NH4]+	399.19279	210.7
[M+K]+	420.12213	202.4
[M+H-H2O]+	364.15623	182.0
[M+HCOO]-	426.15717	215.5
[M+CH3COO]-	440.17282	207.4
[M+Na-2H]-	402.13364	204.3
[M]+	381.15842	199.4
[M]-	381.15952	199.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.16625

198.8

[M+Na]+

404.14819

212.9

[M-H]-

380.15169

203.3

[M+NH4]+

399.19279

210.7

[M+K]+

420.12213

202.4

[M+H-H2O]+

364.15623

182.0

[M+HCOO]-

426.15717

215.5

[M+CH3COO]-

440.17282

207.4

[M+Na-2H]-

402.13364

204.3

[M]+

381.15842

199.4

[M]-

381.15952

199.4

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

Solvent red 197

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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