CID 135436435

Nsc723927

Structural Information

Molecular Formula
C20H16ClN5O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)NC3=O)C
InChI
InChI=1S/C20H16ClN5O3S/c1-11-9-12(2)23-20(22-11)26-30(28,29)15-6-4-14(5-7-15)24-18-16-10-13(21)3-8-17(16)25-19(18)27/h3-10H,1-2H3,(H,22,23,26)(H,24,25,27)
InChIKey
COASHEXYOFOFDE-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-oxo-1H-indol-3-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

441.06622 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.07350 204.4
[M+Na]+ 464.05544 215.3
[M-H]- 440.05894 212.4
[M+NH4]+ 459.10004 213.5
[M+K]+ 480.02938 207.0
[M+H-H2O]+ 424.06348 195.5
[M+HCOO]- 486.06442 215.2
[M+CH3COO]- 500.08007 213.4
[M+Na-2H]- 462.04089 206.6
[M]+ 441.06567 209.0
[M]- 441.06677 209.0
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

patents stripe