CID 3723483

618879-67-7

Structural Information

Molecular Formula
C23H27N3O2S2
SMILES
CCC1=CC=CC(=C1NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC)C
InChI
InChI=1S/C23H27N3O2S2/c1-4-15-10-8-9-14(3)20(15)24-18(27)13-29-23-25-21-19(22(28)26(23)5-2)16-11-6-7-12-17(16)30-21/h8-10H,4-7,11-13H2,1-3H3,(H,24,27)
InChIKey
QXMUHBIGNZODQY-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-[(3-ethyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.15448 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.16176 202.2
[M+Na]+ 464.14370 215.1
[M+NH4]+ 459.18830 210.0
[M+K]+ 480.11764 204.7
[M-H]- 440.14720 206.6
[M+Na-2H]- 462.12915 206.7
[M]+ 441.15393 206.3
[M]- 441.15503 206.3
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.