CID 54690613

Mls000107211

Structural Information

Molecular Formula
C20H18N2O4
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3N(C2=O)CC=C)O
InChI
InChI=1S/C20H18N2O4/c1-3-12-22-15-10-6-4-8-13(15)18(23)17(20(22)25)19(24)21-14-9-5-7-11-16(14)26-2/h3-11,23H,1,12H2,2H3,(H,21,24)
InChIKey
ZWSGQVWEIZLBHU-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-methoxyphenyl)-2-oxo-1-prop-2-enylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

350.12665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 181.5
[M+Na]+ 373.11587 190.0
[M-H]- 349.11937 187.0
[M+NH4]+ 368.16047 193.3
[M+K]+ 389.08981 184.6
[M+H-H2O]+ 333.12391 172.2
[M+HCOO]- 395.12485 201.9
[M+CH3COO]- 409.14050 215.5
[M+Na-2H]- 371.10132 184.9
[M]+ 350.12610 184.1
[M]- 350.12720 184.1
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