CID 385783

Nsc677177

Structural Information

Molecular Formula
C31H26N10O5S2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C31H26N10O5S2/c32-30(33)40-47(43,44)21-15-11-20(12-16-21)38-39-28-23-5-1-2-8-26(23)37-27-24(28)6-3-7-25(27)29(42)36-19-9-13-22(14-10-19)48(45,46)41-31-34-17-4-18-35-31/h1-18,38H,(H,36,42)(H,37,39)(H4,32,33,40)(H,34,35,41)
InChIKey
YWHZCASGHYKIOY-UHFFFAOYSA-N
Compound name
9-[2-[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

682.1529 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.16018 247.5
[M+Na]+ 705.14212 258.7
[M-H]- 681.14562 245.8
[M+NH4]+ 700.18672 252.6
[M+K]+ 721.11606 248.1
[M+H-H2O]+ 665.15016 218.5
[M+HCOO]- 727.15110 253.7
[M+CH3COO]- 741.16675 256.8
[M+Na-2H]- 703.12757 268.5
[M]+ 682.15235 293.5
[M]- 682.15345 293.5
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.