CID 20118761

4-{[4-(3-methylphenyl)piperazin-1-yl]methyl}aniline

Structural Information

Molecular Formula
C18H23N3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CC3=CC=C(C=C3)N
InChI
InChI=1S/C18H23N3/c1-15-3-2-4-18(13-15)21-11-9-20(10-12-21)14-16-5-7-17(19)8-6-16/h2-8,13H,9-12,14,19H2,1H3
InChIKey
KHQHXBNAKCNBCB-UHFFFAOYSA-N
Compound name
4-[[4-(3-methylphenyl)piperazin-1-yl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 169.7
[M+Na]+ 304.17842 174.9
[M-H]- 280.18192 175.3
[M+NH4]+ 299.22302 181.9
[M+K]+ 320.15236 168.9
[M+H-H2O]+ 264.18646 159.0
[M+HCOO]- 326.18740 187.4
[M+CH3COO]- 340.20305 179.2
[M+Na-2H]- 302.16387 172.4
[M]+ 281.18865 163.7
[M]- 281.18975 163.7
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.