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]+ 353.22238 188.7
[M+Na]+ 375.20432 193.8
[M-H]- 351.20782 196.5
[M+NH4]+ 370.24892 202.0
[M+K]+ 391.17826 190.7
[M+H-H2O]+ 335.21236 179.7
[M+HCOO]- 397.21330 211.6
[M+CH3COO]- 411.22895 227.6
[M+Na-2H]- 373.18977 187.2
[M]+ 352.21455 192.1
[M]- 352.21565 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.