CID 135436436

Nsc723928

Structural Information

Molecular Formula
C20H17N5O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4NC3=O)C
InChI
InChI=1S/C20H17N5O3S/c1-12-11-13(2)22-20(21-12)25-29(27,28)15-9-7-14(8-10-15)23-18-16-5-3-4-6-17(16)24-19(18)26/h3-11H,1-2H3,(H,21,22,25)(H,23,24,26)
InChIKey
FRENNFRHCPLWKL-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

407.10522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.11250 196.3
[M+Na]+ 430.09444 205.9
[M-H]- 406.09794 204.1
[M+NH4]+ 425.13904 205.6
[M+K]+ 446.06838 198.5
[M+H-H2O]+ 390.10248 186.8
[M+HCOO]- 452.10342 211.9
[M+CH3COO]- 466.11907 205.6
[M+Na-2H]- 428.07989 199.9
[M]+ 407.10467 198.4
[M]- 407.10577 198.4
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

patents stripe