CID 785543

98303-49-2

Structural Information

Molecular Formula
C21H24N2O
SMILES
CN(C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C21H24N2O/c1-22(2)19-11-5-17(6-12-19)9-15-21(24)16-10-18-7-13-20(14-8-18)23(3)4/h5-16H,1-4H3/b15-9+,16-10+
InChIKey
JWTSVUUPJIIXTO-KAVGSWPWSA-N
Compound name
(1E,4E)-1,5-bis[4-(dimethylamino)phenyl]penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

90
Patents

320.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 180.3
[M+Na]+ 343.17809 184.9
[M-H]- 319.18159 189.1
[M+NH4]+ 338.22269 195.1
[M+K]+ 359.15203 181.4
[M+H-H2O]+ 303.18613 171.0
[M+HCOO]- 365.18707 205.1
[M+CH3COO]- 379.20272 221.0
[M+Na-2H]- 341.16354 181.1
[M]+ 320.18832 182.2
[M]- 320.18942 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe