CID 65475

Mefenidil

Structural Information

Molecular Formula
C12H11N3
SMILES
CC1=C(N=C(N1)C2=CC=CC=C2)CC#N
InChI
InChI=1S/C12H11N3/c1-9-11(7-8-13)15-12(14-9)10-5-3-2-4-6-10/h2-6H,7H2,1H3,(H,14,15)
InChIKey
OTRQRKIYHATFKM-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-phenyl-1H-imidazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

319
Patents

197.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 144.2
[M+Na]+ 220.08451 154.8
[M-H]- 196.08801 145.8
[M+NH4]+ 215.12911 159.9
[M+K]+ 236.05845 149.0
[M+H-H2O]+ 180.09255 129.3
[M+HCOO]- 242.09349 162.1
[M+CH3COO]- 256.10914 155.1
[M+Na-2H]- 218.06996 148.2
[M]+ 197.09474 137.9
[M]- 197.09584 137.9
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.