CID 5702810

386715-44-2

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]+ 256.09682 155.2
[M+Na]+ 278.07876 168.8
[M+NH4]+ 273.12336 163.1
[M+K]+ 294.05270 161.7
[M-H]- 254.08226 156.3
[M+Na-2H]- 276.06421 159.3
[M]+ 255.08899 157.3
[M]- 255.09009 157.3
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.