CID 12333190

45753-18-2

Structural Information

Molecular Formula
C7H8N2S
SMILES
C1CN=C(N1)C2=CC=CS2
InChI
InChI=1S/C7H8N2S/c1-2-6(10-5-1)7-8-3-4-9-7/h1-2,5H,3-4H2,(H,8,9)
InChIKey
WKJSKRCSMISIOY-UHFFFAOYSA-N
Compound name
2-thiophen-2-yl-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

81
Patents

152.04082 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04810 129.6
[M+Na]+ 175.03004 138.9
[M-H]- 151.03354 133.2
[M+NH4]+ 170.07464 151.6
[M+K]+ 191.00398 136.3
[M+H-H2O]+ 135.03808 123.3
[M+HCOO]- 197.03902 147.6
[M+CH3COO]- 211.05467 143.4
[M+Na-2H]- 173.01549 131.1
[M]+ 152.04027 128.4
[M]- 152.04137 128.4
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