CID 98192

20874-31-1

Structural Information

Molecular Formula
C21H19NO3
SMILES
CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H19NO3/c1-15(23)22-20(13-16-7-3-2-4-8-16)21(24)25-19-12-11-17-9-5-6-10-18(17)14-19/h2-12,14,20H,13H2,1H3,(H,22,23)
InChIKey
BBXRRTJNJCPGBU-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 2-acetamido-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

247
Patents

333.1365 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 179.1
[M+Na]+ 356.12572 192.3
[M+NH4]+ 351.17032 186.7
[M+K]+ 372.09966 184.7
[M-H]- 332.12922 183.9
[M+Na-2H]- 354.11117 187.3
[M]+ 333.13595 182.3
[M]- 333.13705 182.3
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