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]+ 321.123376 172.3
[M+Na]+ 343.105318 180.4
[M-H]- 319.108824 178.1
[M+NH4]+ 338.149923 188.3
[M+K]+ 359.079258 174.8
[M+H-H2O]+ 303.113360 164.2
[M+HCOO]- 365.114301 192.0
[M+CH3COO]- 379.129951 183.3
[M+Na-2H]- 341.090766 176.8
[M]+ 320.11555142 173.7
[M]- 320.11664858 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.