CID 5782669

Nsc681130

Structural Information

Molecular Formula
C21H26N2O3
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC=C(C=C2)O
InChI
InChI=1S/C21H26N2O3/c1-22(2)13-17-11-16(12-18(21(17)26)14-23(3)4)20(25)10-7-15-5-8-19(24)9-6-15/h5-12,24,26H,13-14H2,1-4H3/b10-7+
InChIKey
GENGBDBCCZWCCY-JXMROGBWSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 187.4
[M+Na]+ 377.18356 192.3
[M-H]- 353.18706 194.1
[M+NH4]+ 372.22816 199.8
[M+K]+ 393.15750 189.4
[M+H-H2O]+ 337.19160 178.7
[M+HCOO]- 399.19254 209.4
[M+CH3COO]- 413.20819 224.4
[M+Na-2H]- 375.16901 186.1
[M]+ 354.19379 190.0
[M]- 354.19489 190.0
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.