CID 3021184

88152-00-5

Structural Information

Molecular Formula
C24H20N6O2S
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)NNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H20N6O2S/c31-33(32,30-24-25-15-6-16-26-24)19-13-11-18(12-14-19)28-29-23-20-9-4-5-10-21(20)27-22(23)17-7-2-1-3-8-17/h1-16,27-29H,(H,25,26,30)
InChIKey
GEYRMRADYOHWLO-UHFFFAOYSA-N
Compound name
4-[2-(2-phenyl-1H-indol-3-yl)hydrazinyl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.14412 199.0
[M+Na]+ 479.12606 206.8
[M-H]- 455.12956 208.3
[M+NH4]+ 474.17066 204.6
[M+K]+ 495.10000 197.7
[M+H-H2O]+ 439.13410 188.5
[M+HCOO]- 501.13504 216.4
[M+CH3COO]- 515.15069 207.1
[M+Na-2H]- 477.11151 207.9
[M]+ 456.13629 199.6
[M]- 456.13739 199.6
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.