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 168.1
[M+Na]+ 318.11007 180.2
[M+NH4]+ 313.15467 175.9
[M+K]+ 334.08401 173.5
[M-H]- 294.11357 172.3
[M+Na-2H]- 316.09552 174.8
[M]+ 295.12030 170.8
[M]- 295.12140 170.8
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