CID 407443

5433-31-8

Structural Information

Molecular Formula
C23H17ClN4O3S2
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5
InChI
InChI=1S/C23H17ClN4O3S2/c1-31-16-5-9-20-19(13-16)22(18-8-2-14(24)12-21(18)27-20)26-15-3-6-17(7-4-15)33(29,30)28-23-25-10-11-32-23/h2-13H,1H3,(H,25,28)(H,26,27)
InChIKey
KSVCKYTZBLWIPE-UHFFFAOYSA-N
Compound name
4-[(6-chloro-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

496.04306 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.05034 210.1
[M+Na]+ 519.03228 221.6
[M-H]- 495.03578 219.7
[M+NH4]+ 514.07688 219.6
[M+K]+ 535.00622 213.2
[M+H-H2O]+ 479.04032 202.6
[M+HCOO]- 541.04126 218.8
[M+CH3COO]- 555.05691 219.1
[M+Na-2H]- 517.01773 216.8
[M]+ 496.04251 219.2
[M]- 496.04361 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.