CID 6446736

65201-18-5

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/N2CCN(CC2)C3=CC=CC=C3OC)C
InChI
InChI=1S/C22H26N2O2/c1-17-8-9-19(18(2)16-17)21(25)10-11-23-12-14-24(15-13-23)20-6-4-5-7-22(20)26-3/h4-11,16H,12-15H2,1-3H3/b11-10+
InChIKey
OYCDBXYALFDSKZ-ZHACJKMWSA-N
Compound name
(E)-1-(2,4-dimethylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.206706 187.8
[M+Na]+ 373.188648 192.9
[M-H]- 349.192154 193.7
[M+NH4]+ 368.233253 197.6
[M+K]+ 389.162588 187.1
[M+H-H2O]+ 333.196690 176.5
[M+HCOO]- 395.197631 203.3
[M+CH3COO]- 409.213281 215.5
[M+Na-2H]- 371.174096 186.9
[M]+ 350.19888142 185.8
[M]- 350.19997858 185.8
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.