CID 421188

73771-28-5

Structural Information

Molecular Formula
C20H26N2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)CC(CC3=CC=CC=C3)O
InChI
InChI=1S/C20H26N2O/c1-17-7-5-6-10-20(17)22-13-11-21(12-14-22)16-19(23)15-18-8-3-2-4-9-18/h2-10,19,23H,11-16H2,1H3
InChIKey
GNSWLXANORETEF-UHFFFAOYSA-N
Compound name
1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2045 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21178 177.5
[M+Na]+ 333.19372 180.6
[M-H]- 309.19722 181.5
[M+NH4]+ 328.23832 187.8
[M+K]+ 349.16766 174.9
[M+H-H2O]+ 293.20176 166.6
[M+HCOO]- 355.20270 191.7
[M+CH3COO]- 369.21835 185.5
[M+Na-2H]- 331.17917 178.7
[M]+ 310.20395 172.2
[M]- 310.20505 172.2
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.