CID 385755

Nsc677149

Structural Information

Molecular Formula
C27H23N7O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C27H23N7O5S2/c28-27(29)34-41(38,39)20-12-8-18(9-13-20)32-26(35)16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)33-24)31-17-6-10-19(11-7-17)40(30,36)37/h1-15H,(H,31,33)(H,32,35)(H4,28,29,34)(H2,30,36,37)
InChIKey
PBFAAKVRCJLETB-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.12024 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.12752 223.4
[M+Na]+ 612.10946 227.5
[M-H]- 588.11296 230.9
[M+NH4]+ 607.15406 224.5
[M+K]+ 628.08340 221.7
[M+H-H2O]+ 572.11750 213.3
[M+HCOO]- 634.11844 235.2
[M+CH3COO]- 648.13409 267.7
[M+Na-2H]- 610.09491 235.9
[M]+ 589.11969 224.0
[M]- 589.12079 224.0
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.