CID 54682372

384362-64-5

Structural Information

Molecular Formula
C19H16N2O3
SMILES
C1CN2C3=C1C=CC=C3C(=C(C2=O)C(=O)NCC4=CC=CC=C4)O
InChI
InChI=1S/C19H16N2O3/c22-17-14-8-4-7-13-9-10-21(16(13)14)19(24)15(17)18(23)20-11-12-5-2-1-3-6-12/h1-8,22H,9-11H2,(H,20,23)
InChIKey
XHGCCEYFFPZNHW-UHFFFAOYSA-N
Compound name
N-benzyl-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

320.1161 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12338 172.3
[M+Na]+ 343.10532 180.4
[M-H]- 319.10882 178.1
[M+NH4]+ 338.14992 188.3
[M+K]+ 359.07926 174.8
[M+H-H2O]+ 303.11336 164.2
[M+HCOO]- 365.11430 192.0
[M+CH3COO]- 379.12995 183.3
[M+Na-2H]- 341.09077 176.8
[M]+ 320.11555 173.7
[M]- 320.11665 173.7
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

No patent data available for this compound.