CID 135440686

4-[(z)-(5-bromo-2-oxo-indolin-3-ylidene)amino]-n-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C20H16BrN5O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Br)NC3=O)C
InChI
InChI=1S/C20H16BrN5O3S/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
WIOJAPRIEYCXDR-UHFFFAOYSA-N
Compound name
4-[(5-bromo-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

0
Patents

485.01572 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.02300 195.4
[M+Na]+ 508.00494 207.9
[M-H]- 484.00844 205.6
[M+NH4]+ 503.04954 206.1
[M+K]+ 523.97888 193.5
[M+H-H2O]+ 468.01298 193.0
[M+HCOO]- 530.01392 209.1
[M+CH3COO]- 544.02957 206.5
[M+Na-2H]- 505.99039 200.2
[M]+ 485.01517 216.2
[M]- 485.01627 216.2
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.