CID 14162478

4-(4-phenylpiperazin-1-yl)butan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H23N3
SMILES
C1CN(CCN1CCCCN)C2=CC=CC=C2
InChI
InChI=1S/C14H23N3/c15-8-4-5-9-16-10-12-17(13-11-16)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13,15H2
InChIKey
RWIRRGMFYMCBLH-UHFFFAOYSA-N
Compound name
4-(4-phenylpiperazin-1-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

57
Patents

233.1892 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.19648 157.4
[M+Na]+ 256.17842 161.0
[M-H]- 232.18192 159.3
[M+NH4]+ 251.22302 171.5
[M+K]+ 272.15236 156.8
[M+H-H2O]+ 216.18646 147.8
[M+HCOO]- 278.18740 175.1
[M+CH3COO]- 292.20305 193.7
[M+Na-2H]- 254.16387 161.2
[M]+ 233.18865 151.8
[M]- 233.18975 151.8
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