CID 457286

N-[(4-phenylphenyl)methyl]imidazol-1-amine

Structural Information

Molecular Formula
C16H15N3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)CNN3C=CN=C3
InChI
InChI=1S/C16H15N3/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)12-18-19-11-10-17-13-19/h1-11,13,18H,12H2
InChIKey
FGJJTUHJOQQJPR-UHFFFAOYSA-N
Compound name
N-[(4-phenylphenyl)methyl]imidazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.1266 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.13388 155.4
[M+Na]+ 272.11582 162.5
[M-H]- 248.11932 162.4
[M+NH4]+ 267.16042 170.7
[M+K]+ 288.08976 157.0
[M+H-H2O]+ 232.12386 145.3
[M+HCOO]- 294.12480 179.7
[M+CH3COO]- 308.14045 167.3
[M+Na-2H]- 270.10127 162.1
[M]+ 249.12605 154.1
[M]- 249.12715 154.1
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

No patent data available for this compound.