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]+ 355.201616 187.4
[M+Na]+ 377.183558 192.3
[M-H]- 353.187064 194.1
[M+NH4]+ 372.228163 199.8
[M+K]+ 393.157498 189.4
[M+H-H2O]+ 337.191600 178.7
[M+HCOO]- 399.192541 209.4
[M+CH3COO]- 413.208191 224.4
[M+Na-2H]- 375.169006 186.1
[M]+ 354.19379142 190.0
[M]- 354.19488858 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.