CID 5374846

2-naphthalenol, 1-(3-(phenylimino)-1-propenyl)-, acetate (ester)

Structural Information

Molecular Formula
C21H17NO2
SMILES
CC(=O)OC1=C(C2=CC=CC=C2C=C1)/C=C/C=NC3=CC=CC=C3
InChI
InChI=1S/C21H17NO2/c1-16(23)24-21-14-13-17-8-5-6-11-19(17)20(21)12-7-15-22-18-9-3-2-4-10-18/h2-15H,1H3/b12-7+,22-15?
InChIKey
AAZHSKWBNKPJED-WSMASKPSSA-N
Compound name
[1-[(E)-3-phenyliminoprop-1-enyl]naphthalen-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.12592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 174.9
[M+Na]+ 338.11514 181.8
[M-H]- 314.11864 183.4
[M+NH4]+ 333.15974 190.4
[M+K]+ 354.08908 176.4
[M+H-H2O]+ 298.12318 165.7
[M+HCOO]- 360.12412 199.1
[M+CH3COO]- 374.13977 210.9
[M+Na-2H]- 336.10059 180.5
[M]+ 315.12537 176.7
[M]- 315.12647 176.7
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

No patent data available for this compound.