CID 6474186

Nsc636953

Structural Information

Molecular Formula
C19H19NO2
SMILES
CC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H19NO2/c1-14(21)18(19(22)16-7-5-4-6-8-16)13-15-9-11-17(12-10-15)20(2)3/h4-13H,1-3H3/b18-13+
InChIKey
FKIAMBAPWGKHRW-QGOAFFKASA-N
Compound name
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1-phenylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.148846 169.9
[M+Na]+ 316.130788 174.5
[M-H]- 292.134294 177.4
[M+NH4]+ 311.175393 184.9
[M+K]+ 332.104728 171.7
[M+H-H2O]+ 276.138830 161.5
[M+HCOO]- 338.139771 192.1
[M+CH3COO]- 352.155421 210.0
[M+Na-2H]- 314.116236 170.6
[M]+ 293.14102142 170.5
[M]- 293.14211858 170.5
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.