CID 3810593

18292-53-0

Structural Information

Molecular Formula
C18H17NO3
SMILES
C1C=CCC(C1C(=O)NC2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-8,11,14-15H,9-10H2,(H,19,20)(H,21,22)
InChIKey
VALUSFBVAXMEGU-UHFFFAOYSA-N
Compound name
6-(naphthalen-1-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

295.12085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 166.5
[M+Na]+ 318.11007 170.9
[M-H]- 294.11357 171.9
[M+NH4]+ 313.15467 181.0
[M+K]+ 334.08401 166.7
[M+H-H2O]+ 278.11811 158.5
[M+HCOO]- 340.11905 184.8
[M+CH3COO]- 354.13470 203.0
[M+Na-2H]- 316.09552 169.9
[M]+ 295.12030 162.6
[M]- 295.12140 162.6
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

patents stripe