CID 385758

Nsc677152

Structural Information

Molecular Formula
C32H27N7O5S2
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N)C
InChI
InChI=1S/C32H27N7O5S2/c1-19-17-20(2)35-32(34-19)39-46(43,44)25-14-10-23(11-15-25)37-31(40)21-7-16-29-27(18-21)30(26-5-3-4-6-28(26)38-29)36-22-8-12-24(13-9-22)45(33,41)42/h3-18H,1-2H3,(H,36,38)(H,37,40)(H2,33,41,42)(H,34,35,39)
InChIKey
MAPBZANUHODCPE-UHFFFAOYSA-N
Compound name
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.1515 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.15878 242.8
[M+Na]+ 676.14072 248.7
[M-H]- 652.14422 251.3
[M+NH4]+ 671.18532 239.3
[M+K]+ 692.11466 241.0
[M+H-H2O]+ 636.14876 231.3
[M+HCOO]- 698.14970 250.6
[M+CH3COO]- 712.16535 246.2
[M+Na-2H]- 674.12617 254.9
[M]+ 653.15095 246.2
[M]- 653.15205 246.2
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.