CID 11971533

Alpha-(((1-methylethyl)amino)methyl)-4-phenyl-1-piperazineethanol hydrochloride

Structural Information

Molecular Formula
C16H27N3O
SMILES
CC(C)NCC(CN1CCN(CC1)C2=CC=CC=C2)O
InChI
InChI=1S/C16H27N3O/c1-14(2)17-12-16(20)13-18-8-10-19(11-9-18)15-6-4-3-5-7-15/h3-7,14,16-17,20H,8-13H2,1-2H3
InChIKey
VNWDQLKGKPAKQZ-UHFFFAOYSA-N
Compound name
1-(4-phenylpiperazin-1-yl)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.222696 169.6
[M+Na]+ 300.204638 171.2
[M-H]- 276.208144 170.5
[M+NH4]+ 295.249243 181.3
[M+K]+ 316.178578 167.7
[M+H-H2O]+ 260.212680 160.1
[M+HCOO]- 322.213621 184.0
[M+CH3COO]- 336.229271 201.6
[M+Na-2H]- 298.190086 170.6
[M]+ 277.21487142 164.1
[M]- 277.21596858 164.1
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.