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]+ 278.22270 169.6
[M+Na]+ 300.20464 171.2
[M-H]- 276.20814 170.5
[M+NH4]+ 295.24924 181.3
[M+K]+ 316.17858 167.7
[M+H-H2O]+ 260.21268 160.1
[M+HCOO]- 322.21362 184.0
[M+CH3COO]- 336.22927 201.6
[M+Na-2H]- 298.19009 170.6
[M]+ 277.21487 164.1
[M]- 277.21597 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.