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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.