CID 365418

Nsc633038

Structural Information

Molecular Formula
C27H22ClN7O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)Cl)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C27H22ClN7O5S2/c28-21-14-13-20(26(36)33-16-5-9-17(10-6-16)41(31,37)38)25-23(21)24(19-3-1-2-4-22(19)34-25)32-15-7-11-18(12-8-15)42(39,40)35-27(29)30/h1-14H,(H,32,34)(H,33,36)(H4,29,30,35)(H2,31,37,38)
InChIKey
SJHQBDNGNBBBJR-UHFFFAOYSA-N
Compound name
1-chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

623.08124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 624.08852 230.6
[M+Na]+ 646.07046 235.9
[M-H]- 622.07396 238.8
[M+NH4]+ 641.11506 231.7
[M+K]+ 662.04440 229.9
[M+H-H2O]+ 606.07850 221.9
[M+HCOO]- 668.07944 238.4
[M+CH3COO]- 682.09509 272.0
[M+Na-2H]- 644.05591 242.2
[M]+ 623.08069 234.5
[M]- 623.08179 234.5
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.