CID 62217

Naphthalen-2-yl 2-aminobenzoate

Structural Information

Molecular Formula
C17H13NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=CC=CC=C3N
InChI
InChI=1S/C17H13NO2/c18-16-8-4-3-7-15(16)17(19)20-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H,18H2
InChIKey
YJFCKXVXEKHSEC-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 2-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

104
Patents

263.09464 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 158.7
[M+Na]+ 286.08386 166.3
[M-H]- 262.08736 166.0
[M+NH4]+ 281.12846 175.5
[M+K]+ 302.05780 161.8
[M+H-H2O]+ 246.09190 150.7
[M+HCOO]- 308.09284 181.9
[M+CH3COO]- 322.10849 170.9
[M+Na-2H]- 284.06931 165.1
[M]+ 263.09409 158.1
[M]- 263.09519 158.1
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