CID 5702810

(2e)-3-(5-oxo-2,3-dihydro-1h,5h-pyrido[3,2,1-ij]quinolin-6-yl)acrylic acid

Structural Information

Molecular Formula
C15H13NO3
SMILES
C1CC2=CC=CC3=C2N(C1)C(=O)C(=C3)/C=C/C(=O)O
InChI
InChI=1S/C15H13NO3/c17-13(18)7-6-12-9-11-4-1-3-10-5-2-8-16(14(10)11)15(12)19/h1,3-4,6-7,9H,2,5,8H2,(H,17,18)/b7-6+
InChIKey
JXLXOIXOMHOAGJ-VOTSOKGWSA-N
Compound name
(E)-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 155.1
[M+Na]+ 278.078758 163.2
[M-H]- 254.082264 156.9
[M+NH4]+ 273.123363 172.3
[M+K]+ 294.052698 158.3
[M+H-H2O]+ 238.086800 147.8
[M+HCOO]- 300.087741 171.7
[M+CH3COO]- 314.103391 194.2
[M+Na-2H]- 276.064206 161.2
[M]+ 255.08899142 154.9
[M]- 255.09008858 154.9
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.