CID 211940

23771-35-9

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H26N2O2/c1-17-5-3-4-6-20(17)23-15-13-22(14-16-23)12-11-21(24)18-7-9-19(25-2)10-8-18/h3-10H,11-16H2,1-2H3
InChIKey
FEQOJYWCYUIHCI-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 184.1
[M+Na]+ 361.18865 188.3
[M-H]- 337.19215 189.8
[M+NH4]+ 356.23325 194.1
[M+K]+ 377.16259 183.4
[M+H-H2O]+ 321.19669 172.7
[M+HCOO]- 383.19763 199.8
[M+CH3COO]- 397.21328 212.7
[M+Na-2H]- 359.17410 184.5
[M]+ 338.19888 182.1
[M]- 338.19998 182.1
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.