CID 100776

1-(p-anilinobenzyl)-4-methyl-piperazine

Structural Information

Molecular Formula
C18H23N3
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H23N3/c1-20-11-13-21(14-12-20)15-16-7-9-18(10-8-16)19-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3
InChIKey
OWIHDWJTXBCFSO-UHFFFAOYSA-N
Compound name
4-[(4-methylpiperazin-1-yl)methyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.196476 168.4
[M+Na]+ 304.178418 172.5
[M-H]- 280.181924 174.0
[M+NH4]+ 299.223023 180.5
[M+K]+ 320.152358 166.9
[M+H-H2O]+ 264.186460 157.4
[M+HCOO]- 326.187401 186.7
[M+CH3COO]- 340.203051 177.7
[M+Na-2H]- 302.163866 172.9
[M]+ 281.18865142 162.9
[M]- 281.18974858 162.9
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.