CID 13229993

88152-04-9

Structural Information

Molecular Formula
C26H23ClN6O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)C
InChI
InChI=1S/C26H23ClN6O2S/c1-16-15-17(2)29-26(28-16)33-36(34,35)21-13-11-20(12-14-21)31-32-25-22-5-3-4-6-23(22)30-24(25)18-7-9-19(27)10-8-18/h3-15,30-32H,1-2H3,(H,28,29,33)
InChIKey
WQTLBPFSOKNLTD-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-chlorophenyl)-1H-indol-3-yl]hydrazinyl]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

518.12915 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.13643 222.2
[M+Na]+ 541.11837 238.4
[M+NH4]+ 536.16297 228.3
[M+K]+ 557.09231 229.3
[M-H]- 517.12187 230.4
[M+Na-2H]- 539.10382 233.3
[M]+ 518.12860 227.7
[M]- 518.12970 227.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.