CID 6510146

3h-benz(e)inden-3-one, 1,2-dihydro-, 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]+ 323.175396 172.8
[M+Na]+ 345.157338 176.0
[M-H]- 321.160844 181.0
[M+NH4]+ 340.201943 190.1
[M+K]+ 361.131278 171.5
[M+H-H2O]+ 305.165380 164.2
[M+HCOO]- 367.166321 193.0
[M+CH3COO]- 381.181971 182.7
[M+Na-2H]- 343.142786 176.1
[M]+ 322.16757142 168.2
[M]- 322.16866858 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.