CID 3072542

143075-33-6

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CC1=C(N=CN1)CN2C=CC=C(C2=O)C3=CC=CS3
InChI
InChI=1S/C14H13N3OS/c1-10-12(16-9-15-10)8-17-6-2-4-11(14(17)18)13-5-3-7-19-13/h2-7,9H,8H2,1H3,(H,15,16)
InChIKey
RYWUTGZTYNQSPH-UHFFFAOYSA-N
Compound name
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.07794 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 159.3
[M+Na]+ 294.06716 171.9
[M-H]- 270.07066 166.2
[M+NH4]+ 289.11176 175.8
[M+K]+ 310.04110 165.7
[M+H-H2O]+ 254.07520 151.7
[M+HCOO]- 316.07614 178.5
[M+CH3COO]- 330.09179 172.4
[M+Na-2H]- 292.05261 159.2
[M]+ 271.07739 163.2
[M]- 271.07849 163.2
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.