CID 3059495

Brn 4551264

Structural Information

Molecular Formula
C21H23FN2O
SMILES
CC1=CC=CC=C1N2CCN(CC2)/C=C(\C)/C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H23FN2O/c1-16-5-3-4-6-20(16)24-13-11-23(12-14-24)15-17(2)21(25)18-7-9-19(22)10-8-18/h3-10,15H,11-14H2,1-2H3/b17-15+
InChIKey
HQVZDJJOXTXKIN-BMRADRMJSA-N
Compound name
(E)-1-(4-fluorophenyl)-2-methyl-3-[4-(2-methylphenyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.17944 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18672 182.9
[M+Na]+ 361.16866 187.5
[M-H]- 337.17216 187.3
[M+NH4]+ 356.21326 192.9
[M+K]+ 377.14260 181.2
[M+H-H2O]+ 321.17670 171.1
[M+HCOO]- 383.17764 196.6
[M+CH3COO]- 397.19329 212.8
[M+Na-2H]- 359.15411 181.5
[M]+ 338.17889 177.2
[M]- 338.17999 177.2
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.