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
2
Annotation Hits

3
References

323
Patents

197.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 144.2
[M+Na]+ 220.084508 154.8
[M-H]- 196.088014 145.8
[M+NH4]+ 215.129113 159.9
[M+K]+ 236.058448 149.0
[M+H-H2O]+ 180.092550 129.3
[M+HCOO]- 242.093491 162.1
[M+CH3COO]- 256.109141 155.1
[M+Na-2H]- 218.069956 148.2
[M]+ 197.09474142 137.9
[M]- 197.09583858 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

literature stripe

Patent stripe

patents stripe