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

1384
Patents

242.15315 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 157.1
[M+Na]+ 265.14237 163.9
[M-H]- 241.14587 161.5
[M+NH4]+ 260.18697 173.2
[M+K]+ 281.11631 159.6
[M+H-H2O]+ 225.15041 148.1
[M+HCOO]- 287.15135 181.0
[M+CH3COO]- 301.16700 198.7
[M+Na-2H]- 263.12782 161.0
[M]+ 242.15260 156.0
[M]- 242.15370 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.