CID 6481815

N-[(4-dimethylaminophenyl)methyl]-3-(imidazol-1-ylmethyl)aniline

Structural Information

Molecular Formula
C19H22N4
SMILES
CN(C)C1=CC=C(C=C1)CNC2=CC=CC(=C2)CN3C=CN=C3
InChI
InChI=1S/C19H22N4/c1-22(2)19-8-6-16(7-9-19)13-21-18-5-3-4-17(12-18)14-23-11-10-20-15-23/h3-12,15,21H,13-14H2,1-2H3
InChIKey
ZIFYCVUHACPSDN-UHFFFAOYSA-N
Compound name
N-[[4-(dimethylamino)phenyl]methyl]-3-(imidazol-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.18445 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19173 173.0
[M+Na]+ 329.17367 178.8
[M-H]- 305.17717 181.4
[M+NH4]+ 324.21827 186.5
[M+K]+ 345.14761 174.1
[M+H-H2O]+ 289.18171 162.0
[M+HCOO]- 351.18265 197.7
[M+CH3COO]- 365.19830 183.9
[M+Na-2H]- 327.15912 177.2
[M]+ 306.18390 173.7
[M]- 306.18500 173.7
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.