CID 124595

102432-74-6

Structural Information

Molecular Formula
C17H16ClN3
SMILES
C1=CC=C(C(=C1)CN2C=CN=C2)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3/c18-16-7-5-14(6-8-16)11-20-17-4-2-1-3-15(17)12-21-10-9-19-13-21/h1-10,13,20H,11-12H2
InChIKey
XSEISCCZWTVSRP-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2-(imidazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
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

literature stripe

Patent stripe

patents stripe