CID 2155264

686772-17-8

Structural Information

Molecular Formula
C23H20N4O3S3
SMILES
CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5OC)SCC4
InChI
InChI=1S/C23H20N4O3S3/c1-13-7-8-14-18(11-13)33-22(24-14)26-19(28)12-32-23-25-15-9-10-31-20(15)21(29)27(23)16-5-3-4-6-17(16)30-2/h3-8,11H,9-10,12H2,1-2H3,(H,24,26,28)
InChIKey
RHUJMHOIQBDFQR-UHFFFAOYSA-N
Compound name
2-[[3-(2-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

426
Patents

496.06976 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.07704 205.8
[M+Na]+ 519.05898 219.1
[M+NH4]+ 514.10358 213.2
[M+K]+ 535.03292 209.6
[M-H]- 495.06248 211.3
[M+Na-2H]- 517.04443 211.9
[M]+ 496.06921 210.7
[M]- 496.07031 210.7
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

patents stripe