CID 28800100

3-[4-(2-phenylethyl)piperazin-1-yl]aniline

Structural Information

Molecular Formula
C18H23N3
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C3=CC=CC(=C3)N
InChI
InChI=1S/C18H23N3/c19-17-7-4-8-18(15-17)21-13-11-20(12-14-21)10-9-16-5-2-1-3-6-16/h1-8,15H,9-14,19H2
InChIKey
MHZOEEZLESSTPC-UHFFFAOYSA-N
Compound name
3-[4-(2-phenylethyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.1892 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 168.9
[M+Na]+ 304.17842 173.0
[M-H]- 280.18192 174.1
[M+NH4]+ 299.22302 180.7
[M+K]+ 320.15236 167.0
[M+H-H2O]+ 264.18646 158.0
[M+HCOO]- 326.18740 186.6
[M+CH3COO]- 340.20305 178.0
[M+Na-2H]- 302.16387 172.4
[M]+ 281.18865 162.4
[M]- 281.18975 162.4
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

patents stripe