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 219.9
[M+Na]+ 541.11837 229.5
[M-H]- 517.12187 229.7
[M+NH4]+ 536.16297 224.6
[M+K]+ 557.09231 219.6
[M+H-H2O]+ 501.12641 209.5
[M+HCOO]- 563.12735 231.8
[M+CH3COO]- 577.14300 227.3
[M+Na-2H]- 539.10382 224.8
[M]+ 518.12860 224.7
[M]- 518.12970 224.7
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.