CID 387064

Nsc680454

Structural Information

Molecular Formula
C30H23N5O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=CC=C6
InChI
InChI=1S/C30H23N5O4S/c1-19-18-27(34-39-19)35-40(37,38)22-16-14-21(15-17-22)31-28-23-10-5-6-13-26(23)33-29-24(28)11-7-12-25(29)30(36)32-20-8-3-2-4-9-20/h2-18H,1H3,(H,31,33)(H,32,36)(H,34,35)
InChIKey
WSANIAZPMIVIEI-UHFFFAOYSA-N
Compound name
9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-phenylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

549.1471 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 550.15438 225.3
[M+Na]+ 572.13632 232.6
[M-H]- 548.13982 238.2
[M+NH4]+ 567.18092 228.3
[M+K]+ 588.11026 226.9
[M+H-H2O]+ 532.14436 214.2
[M+HCOO]- 594.14530 241.2
[M+CH3COO]- 608.16095 232.4
[M+Na-2H]- 570.12177 232.7
[M]+ 549.14655 230.1
[M]- 549.14765 230.1
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.