CID 364436

Amchlordimidine

Structural Information

Molecular Formula
C30H30ClN7O3S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl)C
InChI
InChI=1S/C30H30ClN7O3S/c1-18-17-19(2)34-30(33-18)37-42(40,41)21-11-9-20(10-12-21)35-27-22-7-5-6-8-25(22)36-28-23(13-14-24(31)26(27)28)29(39)32-15-16-38(3)4/h5-14,17H,15-16H2,1-4H3,(H,32,39)(H,35,36)(H,33,34,37)
InChIKey
ZPXXUTUFRQQFJK-UHFFFAOYSA-N
Compound name
1-chloro-N-[2-(dimethylamino)ethyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.18195 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.18923 240.8
[M+Na]+ 626.17117 247.8
[M-H]- 602.17467 249.3
[M+NH4]+ 621.21577 241.8
[M+K]+ 642.14511 240.8
[M+H-H2O]+ 586.17921 228.7
[M+HCOO]- 648.18015 250.6
[M+CH3COO]- 662.19580 246.0
[M+Na-2H]- 624.15662 247.4
[M]+ 603.18140 249.5
[M]- 603.18250 249.5
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.