CID 4245705

4-(3-propylsalicylideneamino)benzoic acid

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCCC1=C(C(=CC=C1)C=NC2=CC=C(C=C2)C(=O)O)O
InChI
InChI=1S/C17H17NO3/c1-2-4-12-5-3-6-14(16(12)19)11-18-15-9-7-13(8-10-15)17(20)21/h3,5-11,19H,2,4H2,1H3,(H,20,21)
InChIKey
QUECWVPFFZPGCT-UHFFFAOYSA-N
Compound name
4-[(2-hydroxy-3-propylphenyl)methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.12085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.128126 165.3
[M+Na]+ 306.110068 172.2
[M-H]- 282.113574 170.9
[M+NH4]+ 301.154673 180.2
[M+K]+ 322.084008 167.9
[M+H-H2O]+ 266.118110 157.5
[M+HCOO]- 328.119051 188.2
[M+CH3COO]- 342.134701 201.7
[M+Na-2H]- 304.095516 168.3
[M]+ 283.12030142 166.2
[M]- 283.12139858 166.2
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.