CID 3049181

Brn 2985241

Structural Information

Molecular Formula
C17H15NO3
SMILES
C=CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H15NO3/c1-2-11-21-16-9-3-13(4-10-16)12-18-15-7-5-14(6-8-15)17(19)20/h2-10,12H,1,11H2,(H,19,20)
InChIKey
JUVAKKAZGBMQDN-UHFFFAOYSA-N
Compound name
4-[(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 165.5
[M+Na]+ 304.09442 178.7
[M+NH4]+ 299.13902 172.5
[M+K]+ 320.06836 171.1
[M-H]- 280.09792 169.4
[M+Na-2H]- 302.07987 173.6
[M]+ 281.10465 168.3
[M]- 281.10575 168.3
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.