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]+ 284.12813 165.3
[M+Na]+ 306.11007 172.2
[M-H]- 282.11357 170.9
[M+NH4]+ 301.15467 180.2
[M+K]+ 322.08401 167.9
[M+H-H2O]+ 266.11811 157.5
[M+HCOO]- 328.11905 188.2
[M+CH3COO]- 342.13470 201.7
[M+Na-2H]- 304.09552 168.3
[M]+ 283.12030 166.2
[M]- 283.12140 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.