CID 16227132

[(4-chlorophenyl)(1-methyl-1h-imidazol-2-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C12H14ClN3
SMILES
CNC(C1=CC=C(C=C1)Cl)C2=NC=CN2C
InChI
InChI=1S/C12H14ClN3/c1-14-11(12-15-7-8-16(12)2)9-3-5-10(13)6-4-9/h3-8,11,14H,1-2H3
InChIKey
KZPXLWBEPOVTGV-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08763 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 152.3
[M+Na]+ 258.07685 161.1
[M-H]- 234.08035 156.5
[M+NH4]+ 253.12145 169.8
[M+K]+ 274.05079 156.1
[M+H-H2O]+ 218.08489 144.2
[M+HCOO]- 280.08583 170.8
[M+CH3COO]- 294.10148 192.9
[M+Na-2H]- 256.06230 156.0
[M]+ 235.08708 153.9
[M]- 235.08818 153.9
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.