CID 3055045

Brn 2983809

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCCOC1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H17NO3/c1-2-11-21-14-9-7-13(8-10-14)12-18-16-6-4-3-5-15(16)17(19)20/h3-10,12H,2,11H2,1H3,(H,19,20)
InChIKey
KVSTUFPWLPNRBQ-UHFFFAOYSA-N
Compound name
2-[(4-propoxyphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 165.2
[M+Na]+ 306.110068 171.6
[M-H]- 282.113574 171.8
[M+NH4]+ 301.154673 180.5
[M+K]+ 322.084008 168.1
[M+H-H2O]+ 266.118110 156.9
[M+HCOO]- 328.119051 189.6
[M+CH3COO]- 342.134701 202.9
[M+Na-2H]- 304.095516 169.4
[M]+ 283.12030142 167.6
[M]- 283.12139858 167.6
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.