CID 853685

163438-05-9

Structural Information

Molecular Formula
C20H17NO3
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3C(=O)O
InChI
InChI=1S/C20H17NO3/c1-13(15-12-6-8-14-7-2-3-9-16(14)15)21-19(22)17-10-4-5-11-18(17)20(23)24/h2-13H,1H3,(H,21,22)(H,23,24)/t13-/m1/s1
InChIKey
ZEKKAEAOTSMLNW-CYBMUJFWSA-N
Compound name
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

319.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 174.0
[M+Na]+ 342.11007 179.2
[M-H]- 318.11357 179.9
[M+NH4]+ 337.15467 187.5
[M+K]+ 358.08401 174.8
[M+H-H2O]+ 302.11811 165.7
[M+HCOO]- 364.11905 193.5
[M+CH3COO]- 378.13470 209.2
[M+Na-2H]- 340.09552 177.1
[M]+ 319.12030 173.0
[M]- 319.12140 173.0
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