CID 3059995

77562-88-0

Structural Information

Molecular Formula
C17H29N3
SMILES
CCCCC1CN(CCN1CC(C)N)C2=CC=CC=C2
InChI
InChI=1S/C17H29N3/c1-3-4-8-17-14-20(16-9-6-5-7-10-16)12-11-19(17)13-15(2)18/h5-7,9-10,15,17H,3-4,8,11-14,18H2,1-2H3
InChIKey
BRSMBLJFQCLQHT-UHFFFAOYSA-N
Compound name
1-(2-butyl-4-phenylpiperazin-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.23615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.24343 171.5
[M+Na]+ 298.22537 174.5
[M-H]- 274.22887 173.4
[M+NH4]+ 293.26997 184.2
[M+K]+ 314.19931 170.2
[M+H-H2O]+ 258.23341 161.8
[M+HCOO]- 320.23435 187.3
[M+CH3COO]- 334.25000 204.7
[M+Na-2H]- 296.21082 171.7
[M]+ 275.23560 166.8
[M]- 275.23670 166.8
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.