CID 88951

2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol

Structural Information

Molecular Formula
C19H24N2O
SMILES
CN1CCN(CC1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3
InChIKey
BNYKNAMROLCQRS-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1,1-diphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

296.18887 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 173.2
[M+Na]+ 319.17809 176.6
[M-H]- 295.18159 177.3
[M+NH4]+ 314.22269 184.0
[M+K]+ 335.15203 171.1
[M+H-H2O]+ 279.18613 162.8
[M+HCOO]- 341.18707 187.2
[M+CH3COO]- 355.20272 181.6
[M+Na-2H]- 317.16354 177.6
[M]+ 296.18832 167.3
[M]- 296.18942 167.3
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

patents stripe