CID 71263

Mifentidine

Structural Information

Molecular Formula
C13H16N4
SMILES
CC(C)N=CNC1=CC=C(C=C1)C2=CN=CN2
InChI
InChI=1S/C13H16N4/c1-10(2)15-9-16-12-5-3-11(4-6-12)13-7-14-8-17-13/h3-10H,1-2H3,(H,14,17)(H,15,16)
InChIKey
GOZUADYOHPCXLE-UHFFFAOYSA-N
Compound name
N-[4-(1H-imidazol-5-yl)phenyl]-N'-propan-2-ylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

38
References

2064
Patents

228.1375 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.144776 152.1
[M+Na]+ 251.126718 158.3
[M-H]- 227.130224 156.2
[M+NH4]+ 246.171323 168.4
[M+K]+ 267.100658 154.4
[M+H-H2O]+ 211.134760 142.9
[M+HCOO]- 273.135701 176.3
[M+CH3COO]- 287.151351 194.5
[M+Na-2H]- 249.112166 157.3
[M]+ 228.13695142 150.3
[M]- 228.13804858 150.3
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