CID 6510146

1,2-dihydro-3h-benz(e)inden-3-one o-((cyclohexylamino)carbonyl)oxime

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CCC(CC1)NC(=O)O/N=C\2/CCC3=C2C=CC4=CC=CC=C34
InChI
InChI=1S/C20H22N2O2/c23-20(21-15-7-2-1-3-8-15)24-22-19-13-12-17-16-9-5-4-6-14(16)10-11-18(17)19/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,21,23)/b22-19-
InChIKey
MPUSTNGNVFBHHK-QOCHGBHMSA-N
Compound name
[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino] N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 172.8
[M+Na]+ 345.15734 176.0
[M-H]- 321.16084 181.0
[M+NH4]+ 340.20194 190.1
[M+K]+ 361.13128 171.5
[M+H-H2O]+ 305.16538 164.2
[M+HCOO]- 367.16632 193.0
[M+CH3COO]- 381.18197 182.7
[M+Na-2H]- 343.14279 176.1
[M]+ 322.16757 168.2
[M]- 322.16867 168.2
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.