CID 216468

Indisulam

Structural Information

Molecular Formula
C14H12ClN3O4S2
SMILES
C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
InChIKey
SETFNECMODOHTO-UHFFFAOYSA-N
Compound name
4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

158
References

2587
Patents

384.9958 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.00308 184.3
[M+Na]+ 407.98502 195.2
[M-H]- 383.98852 189.9
[M+NH4]+ 403.02962 197.6
[M+K]+ 423.95896 187.2
[M+H-H2O]+ 367.99306 179.4
[M+HCOO]- 429.99400 192.6
[M+CH3COO]- 444.00965 210.7
[M+Na-2H]- 405.97047 190.1
[M]+ 384.99525 189.1
[M]- 384.99635 189.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe