CID 9570476

5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, 10,11-dihydro-, o-(methylcarbamoyl)oxime

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CNC(=O)O/N=C/1\C2=C(CCC3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C16H15N3O2/c1-17-16(20)21-19-15-12-6-3-2-5-11(12)8-9-14-13(15)7-4-10-18-14/h2-7,10H,8-9H2,1H3,(H,17,20)/b19-15-
InChIKey
FOMASEJNMWIVAC-CYVLTUHYSA-N
Compound name
[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 161.6
[M+Na]+ 304.10564 167.8
[M-H]- 280.10914 168.2
[M+NH4]+ 299.15024 177.5
[M+K]+ 320.07958 168.9
[M+H-H2O]+ 264.11368 154.3
[M+HCOO]- 326.11462 183.6
[M+CH3COO]- 340.13027 172.9
[M+Na-2H]- 302.09109 169.9
[M]+ 281.11587 159.5
[M]- 281.11697 159.5
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.