CID 189869

Bisfentidine

Structural Information

Molecular Formula
C14H18N4
SMILES
CC1=NC=C(N1)C2=CC=C(C=C2)NC=NC(C)C
InChI
InChI=1S/C14H18N4/c1-10(2)16-9-17-13-6-4-12(5-7-13)14-8-15-11(3)18-14/h4-10H,1-3H3,(H,15,18)(H,16,17)
InChIKey
FXJAOWANXXJWGJ-UHFFFAOYSA-N
Compound name
N-[4-(2-methyl-1H-imidazol-5-yl)phenyl]-N'-propan-2-ylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1385
Patents

242.15315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.160426 157.1
[M+Na]+ 265.142368 163.9
[M-H]- 241.145874 161.5
[M+NH4]+ 260.186973 173.2
[M+K]+ 281.116308 159.6
[M+H-H2O]+ 225.150410 148.1
[M+HCOO]- 287.151351 181.0
[M+CH3COO]- 301.167001 198.7
[M+Na-2H]- 263.127816 161.0
[M]+ 242.15260142 156.0
[M]- 242.15369858 156.0
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.