CID 5882932

Nsc677788

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C(=C2)CN(C)C)O)CN(C)C
InChI
InChI=1S/C22H28N2O2/c1-16-6-8-17(9-7-16)10-11-21(25)18-12-19(14-23(2)3)22(26)20(13-18)15-24(4)5/h6-13,26H,14-15H2,1-5H3/b11-10+
InChIKey
XKNNUKNWGSSCRT-ZHACJKMWSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.222376 188.7
[M+Na]+ 375.204318 193.8
[M-H]- 351.207824 196.5
[M+NH4]+ 370.248923 202.0
[M+K]+ 391.178258 190.7
[M+H-H2O]+ 335.212360 179.7
[M+HCOO]- 397.213301 211.6
[M+CH3COO]- 411.228951 227.6
[M+Na-2H]- 373.189766 187.2
[M]+ 352.21455142 192.1
[M]- 352.21564858 192.1
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.