PubChemLite - Nsc635980 (C33H26ClN4O2PS)

Structural Information

Molecular Formula

SMILES

CN\1C2=CC=CC=C2/C(=N\N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)/C1=N/S(=O)(=O)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C33H26ClN4O2PS/c1-38-31-20-12-11-19-30(31)32(33(38)36-42(39,40)29-23-21-25(34)22-24-29)35-37-41(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-24H,1H3/b35-32+,36-33-

InChIKey

PILOWEQJHPUQKE-LRMUHLAZSA-N

Compound name

(NZ)-4-chloro-N-[(3E)-1-methyl-3-[(triphenyl-lambda5-phosphanylidene)hydrazinylidene]indol-2-ylidene]benzenesulfonamide

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]+	609.12752	242.7
[M+Na]+	631.10946	248.4
[M-H]-	607.11296	259.1
[M+NH4]+	626.15406	247.6
[M+K]+	647.08340	240.8
[M+H-H2O]+	591.11750	227.2
[M+HCOO]-	653.11844	262.4
[M+CH3COO]-	667.13409	249.2
[M+Na-2H]-	629.09491	243.6
[M]+	608.11969	245.9
[M]-	608.12079	245.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

609.12752

242.7

[M+Na]+

631.10946

248.4

[M-H]-

607.11296

259.1

[M+NH4]+

626.15406

247.6

[M+K]+

647.08340

240.8

[M+H-H2O]+

591.11750

227.2

[M+HCOO]-

653.11844

262.4

[M+CH3COO]-

667.13409

249.2

[M+Na-2H]-

629.09491

243.6

[M]+

608.11969

245.9

[M]-

608.12079

245.9

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

Nsc635980

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe