CID 4990708

578749-67-4

Structural Information

Molecular Formula
C21H25N3O2S2
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C(=C(S3)C)C)C(=O)N2CC)C
InChI
InChI=1S/C21H25N3O2S2/c1-6-15-10-8-9-12(3)18(15)22-16(25)11-27-21-23-19-17(13(4)14(5)28-19)20(26)24(21)7-2/h8-10H,6-7,11H2,1-5H3,(H,22,25)
InChIKey
VLRZSPLSJJYZBA-UHFFFAOYSA-N
Compound name
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.13882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.14610 200.6
[M+Na]+ 438.12804 214.1
[M+NH4]+ 433.17264 207.5
[M+K]+ 454.10198 204.2
[M-H]- 414.13154 204.5
[M+Na-2H]- 436.11349 205.0
[M]+ 415.13827 204.6
[M]- 415.13937 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.