CID 3018690

Dtxsid201105788

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CC1=C(C(=O)N(C(=O)C1=CC2=CC=C(C=C2)N(C)C)CCO)C#N
InChI
InChI=1S/C18H19N3O3/c1-12-15(10-13-4-6-14(7-5-13)20(2)3)17(23)21(8-9-22)18(24)16(12)11-19/h4-7,10,22H,8-9H2,1-3H3
InChIKey
RAAIJYFEUBHAPK-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)phenyl]methylidene]-1-(2-hydroxyethyl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.149916 176.9
[M+Na]+ 348.131858 186.4
[M-H]- 324.135364 181.3
[M+NH4]+ 343.176463 188.3
[M+K]+ 364.105798 181.6
[M+H-H2O]+ 308.139900 162.2
[M+HCOO]- 370.140841 193.3
[M+CH3COO]- 384.156491 223.7
[M+Na-2H]- 346.117306 175.8
[M]+ 325.14209142 172.6
[M]- 325.14318858 172.6
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.