CID 479117

(4-chloro-benzyl)-(4-imidazol-1-yl-phenyl)-amine

Structural Information

Molecular Formula
C16H14ClN3
SMILES
C1=CC(=CC=C1CNC2=CC=C(C=C2)N3C=CN=C3)Cl
InChI
InChI=1S/C16H14ClN3/c17-14-3-1-13(2-4-14)11-19-15-5-7-16(8-6-15)20-10-9-18-12-20/h1-10,12,19H,11H2
InChIKey
QOCVAASNBDCYLV-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-4-imidazol-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.08762 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09490 163.9
[M+Na]+ 306.07684 172.6
[M-H]- 282.08034 170.9
[M+NH4]+ 301.12144 178.9
[M+K]+ 322.05078 165.5
[M+H-H2O]+ 266.08488 154.1
[M+HCOO]- 328.08582 183.3
[M+CH3COO]- 342.10147 175.6
[M+Na-2H]- 304.06229 169.0
[M]+ 283.08707 165.1
[M]- 283.08817 165.1
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.