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]+ 326.222696 180.2
[M+Na]+ 348.204638 182.5
[M-H]- 324.208144 184.2
[M+NH4]+ 343.249243 189.6
[M+K]+ 364.178578 176.8
[M+H-H2O]+ 308.212680 169.1
[M+HCOO]- 370.213621 195.5
[M+CH3COO]- 384.229271 187.8
[M+Na-2H]- 346.190086 182.2
[M]+ 325.21487142 174.4
[M]- 325.21596858 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.