CID 737259

16154-69-1

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

349
Patents

267.17355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.18083 165.8
[M+Na]+ 290.16277 180.1
[M+NH4]+ 285.20737 174.7
[M+K]+ 306.13671 171.2
[M-H]- 266.16627 172.6
[M+Na-2H]- 288.14822 176.0
[M]+ 267.17300 169.8
[M]- 267.17410 169.8
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