CID 3056406

Alpha-anilinomethyl-4-tolyl-1-piperazineethanol

Structural Information

Molecular Formula
C20H27N3O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(CNC3=CC=CC=C3)O
InChI
InChI=1S/C20H27N3O/c1-17-7-5-6-10-20(17)23-13-11-22(12-14-23)16-19(24)15-21-18-8-3-2-4-9-18/h2-10,19,21,24H,11-16H2,1H3
InChIKey
QZLNDNJHBUXJPT-UHFFFAOYSA-N
Compound name
1-anilino-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 180.2
[M+Na]+ 348.20464 182.5
[M-H]- 324.20814 184.2
[M+NH4]+ 343.24924 189.6
[M+K]+ 364.17858 176.8
[M+H-H2O]+ 308.21268 169.1
[M+HCOO]- 370.21362 195.5
[M+CH3COO]- 384.22927 187.8
[M+Na-2H]- 346.19009 182.2
[M]+ 325.21487 174.4
[M]- 325.21597 174.4
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.