CID 364437

Amchloroxazole

Structural Information

Molecular Formula
C28H27ClN6O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl
InChI
InChI=1S/C28H27ClN6O4S/c1-17-16-24(33-39-17)34-40(37,38)19-10-8-18(9-11-19)31-26-20-6-4-5-7-23(20)32-27-21(12-13-22(29)25(26)27)28(36)30-14-15-35(2)3/h4-13,16H,14-15H2,1-3H3,(H,30,36)(H,31,32)(H,33,34)
InChIKey
GZGVCWYDKIBYBG-UHFFFAOYSA-N
Compound name
1-chloro-N-[2-(dimethylamino)ethyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.1503 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.15758 236.1
[M+Na]+ 601.13952 243.4
[M-H]- 577.14302 247.5
[M+NH4]+ 596.18412 240.1
[M+K]+ 617.11346 238.9
[M+H-H2O]+ 561.14756 226.1
[M+HCOO]- 623.14850 248.5
[M+CH3COO]- 637.16415 243.0
[M+Na-2H]- 599.12497 241.3
[M]+ 578.14975 246.6
[M]- 578.15085 246.6
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.