CID 387065

Nsc680455

Structural Information

Molecular Formula
C23H18N4O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C23H18N4O3S/c1-15-14-22(26-30-15)27-31(28,29)17-12-10-16(11-13-17)24-23-18-6-2-4-8-20(18)25-21-9-5-3-7-19(21)23/h2-14H,1H3,(H,24,25)(H,26,27)
InChIKey
RYRFJLSPWXVMDK-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11723 198.9
[M+Na]+ 453.09917 209.3
[M-H]- 429.10267 209.6
[M+NH4]+ 448.14377 208.2
[M+K]+ 469.07311 203.4
[M+H-H2O]+ 413.10721 189.5
[M+HCOO]- 475.10815 216.2
[M+CH3COO]- 489.12380 209.0
[M+Na-2H]- 451.08462 207.0
[M]+ 430.10940 204.6
[M]- 430.11050 204.6
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.