CID 5938565

Nsc677786

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H28N2O3/c1-23(2)14-18-12-17(13-19(22(18)26)15-24(3)4)21(25)11-8-16-6-9-20(27-5)10-7-16/h6-13,26H,14-15H2,1-5H3/b11-8+
InChIKey
OUMJUOPWDZWILS-DHZHZOJOSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.8
[M+Na]+ 391.19922 196.7
[M-H]- 367.20272 199.6
[M+NH4]+ 386.24382 204.3
[M+K]+ 407.17316 194.3
[M+H-H2O]+ 351.20726 182.5
[M+HCOO]- 413.20820 214.9
[M+CH3COO]- 427.22385 229.7
[M+Na-2H]- 389.18467 190.4
[M]+ 368.20945 196.6
[M]- 368.21055 196.6
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.