CID 483557

Schembl8938394

Structural Information

Molecular Formula
C21H17ClN4O3S
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NCC4=CC(=NC=C4)N
InChI
InChI=1S/C21H17ClN4O3S/c22-14-6-7-17-16(11-14)20(30(28,29)15-4-2-1-3-5-15)19(26-17)21(27)25-12-13-8-9-24-18(23)10-13/h1-11,26H,12H2,(H2,23,24)(H,25,27)
InChIKey
WIKBQFPSSKKAOL-UHFFFAOYSA-N
Compound name
N-[(2-aminopyridin-4-yl)methyl]-3-(benzenesulfonyl)-5-chloro-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

440.07098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.07826 200.8
[M+Na]+ 463.06020 210.5
[M-H]- 439.06370 208.4
[M+NH4]+ 458.10480 210.1
[M+K]+ 479.03414 202.1
[M+H-H2O]+ 423.06824 192.7
[M+HCOO]- 485.06918 212.4
[M+CH3COO]- 499.08483 209.7
[M+Na-2H]- 461.04565 203.9
[M]+ 440.07043 205.0
[M]- 440.07153 205.0
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

patents stripe