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

4
Patents

295.12085 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.128126 166.5
[M+Na]+ 318.110068 170.9
[M-H]- 294.113574 171.9
[M+NH4]+ 313.154673 181.0
[M+K]+ 334.084008 166.7
[M+H-H2O]+ 278.118110 158.5
[M+HCOO]- 340.119051 184.8
[M+CH3COO]- 354.134701 203.0
[M+Na-2H]- 316.095516 169.9
[M]+ 295.12030142 162.6
[M]- 295.12139858 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