CID 203663

Brn 2852759

Structural Information

Molecular Formula
C16H15NO3
SMILES
CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H15NO3/c1-2-20-15-9-3-12(4-10-15)11-17-14-7-5-13(6-8-14)16(18)19/h3-11H,2H2,1H3,(H,18,19)
InChIKey
DRQCKLPNMDBVQL-UHFFFAOYSA-N
Compound name
4-[(4-ethoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

269.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.6
[M+Na]+ 292.09442 167.5
[M-H]- 268.09792 167.4
[M+NH4]+ 287.13902 176.4
[M+K]+ 308.06836 164.1
[M+H-H2O]+ 252.10246 152.5
[M+HCOO]- 314.10340 185.4
[M+CH3COO]- 328.11905 199.9
[M+Na-2H]- 290.07987 165.3
[M]+ 269.10465 162.6
[M]- 269.10575 162.6
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