CID 1224078

1-(4-fluorophenyl)-4-[3-(4-isobutylphenyl)acryloyl]piperazine

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]+ 367.21803 192.2
[M+Na]+ 389.19997 195.9
[M-H]- 365.20347 196.2
[M+NH4]+ 384.24457 201.0
[M+K]+ 405.17391 189.2
[M+H-H2O]+ 349.20801 179.9
[M+HCOO]- 411.20895 205.1
[M+CH3COO]- 425.22460 218.0
[M+Na-2H]- 387.18542 189.7
[M]+ 366.21020 187.0
[M]- 366.21130 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.