CID 3055050

Brn 2985571

Structural Information

Molecular Formula
C17H15NO3
SMILES
C=CCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H15NO3/c1-2-11-21-14-9-7-13(8-10-14)12-18-16-6-4-3-5-15(16)17(19)20/h2-10,12H,1,11H2,(H,19,20)
InChIKey
LWQLUARVXRKPCD-UHFFFAOYSA-N
Compound name
2-[(4-prop-2-enoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 164.0
[M+Na]+ 304.09442 170.7
[M-H]- 280.09792 170.6
[M+NH4]+ 299.13902 179.2
[M+K]+ 320.06836 166.5
[M+H-H2O]+ 264.10246 155.7
[M+HCOO]- 326.10340 188.6
[M+CH3COO]- 340.11905 202.2
[M+Na-2H]- 302.07987 168.2
[M]+ 281.10465 165.6
[M]- 281.10575 165.6
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

No patent data available for this compound.