CID 135436434

Nsc723926

Structural Information

Molecular Formula
C21H19N5O3S
SMILES
CC1=CC2=C(C=C1)NC(=O)C2=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC(=CC(=N4)C)C
InChI
InChI=1S/C21H19N5O3S/c1-12-4-9-18-17(10-12)19(20(27)25-18)24-15-5-7-16(8-6-15)30(28,29)26-21-22-13(2)11-14(3)23-21/h4-11H,1-3H3,(H,22,23,26)(H,24,25,27)
InChIKey
LRRKHSBYHCQSJC-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

421.12085 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12813 201.6
[M+Na]+ 444.11007 211.4
[M-H]- 420.11357 209.5
[M+NH4]+ 439.15467 210.5
[M+K]+ 460.08401 203.9
[M+H-H2O]+ 404.11811 192.1
[M+HCOO]- 466.11905 216.7
[M+CH3COO]- 480.13470 210.6
[M+Na-2H]- 442.09552 203.9
[M]+ 421.12030 204.4
[M]- 421.12140 204.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.