CID 96045

1163-67-3

Structural Information

Molecular Formula
C19H15NO3
SMILES
CC(=O)OC1=CC2=CC=CC=C2C=C1C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C19H15NO3/c1-13(21)23-18-12-15-8-6-5-7-14(15)11-17(18)19(22)20-16-9-3-2-4-10-16/h2-12H,1H3,(H,20,22)
InChIKey
CVJGNNYDVQYHEO-UHFFFAOYSA-N
Compound name
[3-(phenylcarbamoyl)naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

305.1052 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.11248 169.7
[M+Na]+ 328.09442 176.2
[M-H]- 304.09792 177.2
[M+NH4]+ 323.13902 184.8
[M+K]+ 344.06836 172.3
[M+H-H2O]+ 288.10246 161.1
[M+HCOO]- 350.10340 192.1
[M+CH3COO]- 364.11905 207.0
[M+Na-2H]- 326.07987 174.9
[M]+ 305.10465 170.7
[M]- 305.10575 170.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe