CID 6449053

172753-43-4

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CCOC(=O)/C(=C/C1=C(NC2=CC=CC=C2C1=O)N(C)C)/C#N
InChI
InChI=1S/C17H17N3O3/c1-4-23-17(22)11(10-18)9-13-15(21)12-7-5-6-8-14(12)19-16(13)20(2)3/h5-9H,4H2,1-3H3,(H,19,21)/b11-9+
InChIKey
LELZHSKGSCXPML-PKNBQFBNSA-N
Compound name
ethyl (E)-2-cyano-3-[2-(dimethylamino)-4-oxo-1H-quinolin-3-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 174.0
[M+Na]+ 334.11620 184.6
[M+NH4]+ 329.16080 176.2
[M+K]+ 350.09014 176.1
[M-H]- 310.11970 167.4
[M+Na-2H]- 332.10165 175.0
[M]+ 311.12643 172.5
[M]- 311.12753 172.5
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.