CID 2786128

Maybridge3_005323

Structural Information

Molecular Formula
C19H15NO3
SMILES
C1CC2=C3C(=CC=C2)C(=CC(=O)N3C1)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H15NO3/c21-17-12-16(23-19(22)14-6-2-1-3-7-14)15-10-4-8-13-9-5-11-20(17)18(13)15/h1-4,6-8,10,12H,5,9,11H2
InChIKey
PKCFWPPMWXRPOQ-UHFFFAOYSA-N
Compound name
(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

305.1052 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.112476 168.9
[M+Na]+ 328.094418 176.4
[M-H]- 304.097924 174.9
[M+NH4]+ 323.139023 184.0
[M+K]+ 344.068358 171.5
[M+H-H2O]+ 288.102460 159.1
[M+HCOO]- 350.103401 186.5
[M+CH3COO]- 364.119051 179.7
[M+Na-2H]- 326.079866 175.5
[M]+ 305.10465142 169.6
[M]- 305.10574858 169.6
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