CID 1224078

329778-15-6

Structural Information

Molecular Formula
C23H27FN2O
SMILES
CC(C)CC1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H27FN2O/c1-18(2)17-20-5-3-19(4-6-20)7-12-23(27)26-15-13-25(14-16-26)22-10-8-21(24)9-11-22/h3-12,18H,13-17H2,1-2H3/b12-7+
InChIKey
WGEWHUMXCPJNRO-KPKJPENVSA-N
Compound name
(E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(2-methylpropyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.21075 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.218026 192.2
[M+Na]+ 389.199968 195.9
[M-H]- 365.203474 196.2
[M+NH4]+ 384.244573 201.0
[M+K]+ 405.173908 189.2
[M+H-H2O]+ 349.208010 179.9
[M+HCOO]- 411.208951 205.1
[M+CH3COO]- 425.224601 218.0
[M+Na-2H]- 387.185416 189.7
[M]+ 366.21020142 187.0
[M]- 366.21129858 187.0
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.