CID 737259

4-(4-benzylpiperazin-1-yl)aniline

Structural Information

Molecular Formula
C17H21N3
SMILES
C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H21N3/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14,18H2
InChIKey
PZWVVLZWQWIEAV-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperazin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

356
Patents

267.17355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.180826 164.6
[M+Na]+ 290.162768 169.1
[M-H]- 266.166274 169.9
[M+NH4]+ 285.207373 177.0
[M+K]+ 306.136708 163.4
[M+H-H2O]+ 250.170810 153.8
[M+HCOO]- 312.171751 182.6
[M+CH3COO]- 326.187401 174.1
[M+Na-2H]- 288.148216 168.6
[M]+ 267.17300142 157.8
[M]- 267.17409858 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe