CID 385793

Nsc677187

Structural Information

Molecular Formula
C27H24N8O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C27H24N8O5S2/c28-27(29)35-42(39,40)19-14-8-16(9-15-19)31-26(36)22-6-3-5-21-24(22)32-23-7-2-1-4-20(23)25(21)34-33-17-10-12-18(13-11-17)41(30,37)38/h1-15,33H,(H,31,36)(H,32,34)(H4,28,29,35)(H2,30,37,38)
InChIKey
DETPERXTKQOXAT-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

604.1311 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 605.13838 221.8
[M+Na]+ 627.12032 225.0
[M-H]- 603.12382 229.1
[M+NH4]+ 622.16492 222.0
[M+K]+ 643.09426 219.7
[M+H-H2O]+ 587.12836 211.7
[M+HCOO]- 649.12930 234.5
[M+CH3COO]- 663.14495 272.9
[M+Na-2H]- 625.10577 236.0
[M]+ 604.13055 221.9
[M]- 604.13165 221.9
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.