CID 3021187

Brn 4612221

Structural Information

Molecular Formula
C24H19ClN6O2S
SMILES
C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Cl)NNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5
InChI
InChI=1S/C24H19ClN6O2S/c25-17-8-6-16(7-9-17)22-23(20-4-1-2-5-21(20)28-22)30-29-18-10-12-19(13-11-18)34(32,33)31-24-26-14-3-15-27-24/h1-15,28-30H,(H,26,27,31)
InChIKey
HUXMKFRNCSTNKB-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-chlorophenyl)-1H-indol-3-yl]hydrazinyl]-N-pyrimidin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.09787 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.10515 207.6
[M+Na]+ 513.08709 216.7
[M-H]- 489.09059 217.1
[M+NH4]+ 508.13169 213.0
[M+K]+ 529.06103 207.0
[M+H-H2O]+ 473.09513 197.4
[M+HCOO]- 535.09607 220.4
[M+CH3COO]- 549.11172 215.5
[M+Na-2H]- 511.07254 215.1
[M]+ 490.09732 211.0
[M]- 490.09842 211.0
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.