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]+ 294.14885 169.9
[M+Na]+ 316.13079 174.5
[M-H]- 292.13429 177.4
[M+NH4]+ 311.17539 184.9
[M+K]+ 332.10473 171.7
[M+H-H2O]+ 276.13883 161.5
[M+HCOO]- 338.13977 192.1
[M+CH3COO]- 352.15542 210.0
[M+Na-2H]- 314.11624 170.6
[M]+ 293.14102 170.5
[M]- 293.14212 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.