CID 2392257

2-(1h-1,3-benzodiazol-2-yl)-1-(thiophen-2-yl)ethan-1-one

Structural Information

Molecular Formula
C13H10N2OS
SMILES
C1=CC=C2C(=C1)NC(=N2)CC(=O)C3=CC=CS3
InChI
InChI=1S/C13H10N2OS/c16-11(12-6-3-7-17-12)8-13-14-9-4-1-2-5-10(9)15-13/h1-7H,8H2,(H,14,15)
InChIKey
CJAQHQYQSUKLNY-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

242.05139 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 152.5
[M+Na]+ 265.04061 163.4
[M-H]- 241.04411 157.8
[M+NH4]+ 260.08521 172.2
[M+K]+ 281.01455 158.4
[M+H-H2O]+ 225.04865 146.2
[M+HCOO]- 287.04959 170.8
[M+CH3COO]- 301.06524 165.6
[M+Na-2H]- 263.02606 154.3
[M]+ 242.05084 155.7
[M]- 242.05194 155.7
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