CID 6481812

N-[(2-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline

Structural Information

Molecular Formula
C17H16ClN3
SMILES
C1=CC=C(C(=C1)CNC2=CC=CC(=C2)CN3C=CN=C3)Cl
InChI
InChI=1S/C17H16ClN3/c18-17-7-2-1-5-15(17)11-20-16-6-3-4-14(10-16)12-21-9-8-19-13-21/h1-10,13,20H,11-12H2
InChIKey
FTEXBBFYNVCJBA-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10327 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11055 168.4
[M+Na]+ 320.09249 176.7
[M-H]- 296.09599 175.2
[M+NH4]+ 315.13709 182.8
[M+K]+ 336.06643 169.3
[M+H-H2O]+ 280.10053 158.4
[M+HCOO]- 342.10147 187.5
[M+CH3COO]- 356.11712 179.6
[M+Na-2H]- 318.07794 172.9
[M]+ 297.10272 169.9
[M]- 297.10382 169.9
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.