CID 4064549

4-((2-hydroxy-benzylidene)-amino)-benzoic acid hexyl ester

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCCCCCOC(=O)C1=CC=C(C=C1)N=CC2=CC=CC=C2O
InChI
InChI=1S/C20H23NO3/c1-2-3-4-7-14-24-20(23)16-10-12-18(13-11-16)21-15-17-8-5-6-9-19(17)22/h5-6,8-13,15,22H,2-4,7,14H2,1H3
InChIKey
YKAYFNVROVMEIT-UHFFFAOYSA-N
Compound name
hexyl 4-[(2-hydroxyphenyl)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 179.3
[M+Na]+ 348.15702 184.4
[M-H]- 324.16052 185.3
[M+NH4]+ 343.20162 192.8
[M+K]+ 364.13096 180.2
[M+H-H2O]+ 308.16506 170.3
[M+HCOO]- 370.16600 202.6
[M+CH3COO]- 384.18165 211.2
[M+Na-2H]- 346.14247 181.8
[M]+ 325.16725 182.5
[M]- 325.16835 182.5
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.