CID 690828

743-91-9

Structural Information

Molecular Formula
C20H17NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C20H17NO3/c1-2-24-20(23)15-7-10-16(11-8-15)21-13-18-17-6-4-3-5-14(17)9-12-19(18)22/h3-13,22H,2H2,1H3
InChIKey
CWWAKPGLKRKXRP-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.12085 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 174.4
[M+Na]+ 342.11007 181.7
[M-H]- 318.11357 182.0
[M+NH4]+ 337.15467 189.2
[M+K]+ 358.08401 177.0
[M+H-H2O]+ 302.11811 165.5
[M+HCOO]- 364.11905 197.4
[M+CH3COO]- 378.13470 210.3
[M+Na-2H]- 340.09552 179.5
[M]+ 319.12030 176.7
[M]- 319.12140 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

patents stripe