CID 3059991

77562-84-6

Structural Information

Molecular Formula
C15H25N3
SMILES
CCC1CN(CCN1C2=CC=CC=C2)CC(C)N
InChI
InChI=1S/C15H25N3/c1-3-14-12-17(11-13(2)16)9-10-18(14)15-7-5-4-6-8-15/h4-8,13-14H,3,9-12,16H2,1-2H3
InChIKey
CYUAEUWBLKMBHK-UHFFFAOYSA-N
Compound name
1-(3-ethyl-4-phenylpiperazin-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.20485 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.21213 162.7
[M+Na]+ 270.19407 166.6
[M-H]- 246.19757 165.0
[M+NH4]+ 265.23867 176.6
[M+K]+ 286.16801 162.7
[M+H-H2O]+ 230.20211 153.4
[M+HCOO]- 292.20305 179.1
[M+CH3COO]- 306.21870 198.7
[M+Na-2H]- 268.17952 164.0
[M]+ 247.20430 157.3
[M]- 247.20540 157.3
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.