CID 9570527

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

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC(C)(C)NC(=O)O/N=C\1/C2=C(CCC3=CC=CC=C31)N=CC=C2
InChI
InChI=1S/C19H21N3O2/c1-19(2,3)21-18(23)24-22-17-14-8-5-4-7-13(14)10-11-16-15(17)9-6-12-20-16/h4-9,12H,10-11H2,1-3H3,(H,21,23)/b22-17+
InChIKey
PKYGWVLVNUVFPV-OQKWZONESA-N
Compound name
[(E)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] N-tert-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 176.0
[M+Na]+ 346.15262 181.3
[M-H]- 322.15612 182.3
[M+NH4]+ 341.19722 190.4
[M+K]+ 362.12656 182.5
[M+H-H2O]+ 306.16066 168.8
[M+HCOO]- 368.16160 195.4
[M+CH3COO]- 382.17725 215.0
[M+Na-2H]- 344.13807 183.5
[M]+ 323.16285 174.3
[M]- 323.16395 174.3
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.