CID 384532

Nsc674503

Structural Information

Molecular Formula
C25H26N6O6S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C25H26N6O6S/c26-24(27)31-38(36,37)16-10-8-15(9-11-16)28-21-17-4-1-2-7-20(17)29-22-18(21)5-3-6-19(22)23(35)30-25(12-32,13-33)14-34/h1-11,32-34H,12-14H2,(H,28,29)(H,30,35)(H4,26,27,31)
InChIKey
VRMZLORNOCRNNI-UHFFFAOYSA-N
Compound name
9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.16345 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.17073 213.2
[M+Na]+ 561.15267 215.4
[M-H]- 537.15617 215.8
[M+NH4]+ 556.19727 215.2
[M+K]+ 577.12661 211.7
[M+H-H2O]+ 521.16071 204.1
[M+HCOO]- 583.16165 225.2
[M+CH3COO]- 597.17730 254.8
[M+Na-2H]- 559.13812 222.9
[M]+ 538.16290 213.7
[M]- 538.16400 213.7
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.