CID 113753

2-propanol, 1-(4-(1-methylpropenyl)phenoxy)-3-(4-phenylpiperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC=C(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C23H30N2O2/c1-3-19(2)20-9-11-23(12-10-20)27-18-22(26)17-24-13-15-25(16-14-24)21-7-5-4-6-8-21/h3-12,22,26H,13-18H2,1-2H3
InChIKey
JPZMFQISPAJLCZ-UHFFFAOYSA-N
Compound name
1-(4-but-2-en-2-ylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 192.7
[M+Na]+ 389.21996 194.4
[M-H]- 365.22346 196.3
[M+NH4]+ 384.26456 200.5
[M+K]+ 405.19390 188.7
[M+H-H2O]+ 349.22800 181.3
[M+HCOO]- 411.22894 205.2
[M+CH3COO]- 425.24459 215.2
[M+Na-2H]- 387.20541 191.2
[M]+ 366.23019 188.4
[M]- 366.23129 188.4
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.