CID 1989020

585551-77-5

Structural Information

Molecular Formula
C20H23N3O2S2
SMILES
CCC1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC
InChI
InChI=1S/C20H23N3O2S2/c1-5-14-9-7-8-10-15(14)21-16(24)11-26-20-22-18-17(12(3)13(4)27-18)19(25)23(20)6-2/h7-10H,5-6,11H2,1-4H3,(H,21,24)
InChIKey
VPFJBBNRWABPLG-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.12317 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13045 195.1
[M+Na]+ 424.11239 208.5
[M+NH4]+ 419.15699 202.2
[M+K]+ 440.08633 198.7
[M-H]- 400.11589 199.0
[M+Na-2H]- 422.09784 200.1
[M]+ 401.12262 199.1
[M]- 401.12372 199.1
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.