PubChemLite - 767311-94-4 (C30H21ClN2O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)N/N=C/C3=C(C=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C30H21ClN2O3/c31-27-15-6-5-14-25(27)30(35)36-28-17-16-21-9-2-4-13-24(21)26(28)19-32-33-29(34)18-22-11-7-10-20-8-1-3-12-23(20)22/h1-17,19H,18H2,(H,33,34)/b32-19+

InChIKey

CIZPZTKSKCSODY-BIZUNTBRSA-N

Compound name

[1-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate

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]+	493.13136	219.2
[M+Na]+	515.11330	226.1
[M-H]-	491.11680	230.8
[M+NH4]+	510.15790	227.9
[M+K]+	531.08724	218.5
[M+H-H2O]+	475.12134	207.2
[M+HCOO]-	537.12228	237.4
[M+CH3COO]-	551.13793	227.3
[M+Na-2H]-	513.09875	223.8
[M]+	492.12353	224.6
[M]-	492.12463	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

493.13136

219.2

[M+Na]+

515.11330

226.1

[M-H]-

491.11680

230.8

[M+NH4]+

510.15790

227.9

[M+K]+

531.08724

218.5

[M+H-H2O]+

475.12134

207.2

[M+HCOO]-

537.12228

237.4

[M+CH3COO]-

551.13793

227.3

[M+Na-2H]-

513.09875

223.8

[M]+

492.12353

224.6

[M]-

492.12463

224.6

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

767311-94-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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