CID 5279418

514831-90-4

Structural Information

Molecular Formula
C23H18N4O3S2
SMILES
COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5
InChI
InChI=1S/C23H18N4O3S2/c1-30-16-8-11-21-19(14-16)22(18-4-2-3-5-20(18)26-21)25-15-6-9-17(10-7-15)32(28,29)27-23-24-12-13-31-23/h2-14H,1H3,(H,24,27)(H,25,26)
InChIKey
WIWRHEMXXUXQOR-UHFFFAOYSA-N
Compound name
4-[(2-methoxyacridin-9-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

462.08203 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.08931 202.9
[M+Na]+ 485.07125 213.3
[M-H]- 461.07475 212.1
[M+NH4]+ 480.11585 212.6
[M+K]+ 501.04519 205.4
[M+H-H2O]+ 445.07929 194.7
[M+HCOO]- 507.08023 216.2
[M+CH3COO]- 521.09588 212.0
[M+Na-2H]- 483.05670 210.7
[M]+ 462.08148 209.2
[M]- 462.08258 209.2
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.