CID 3046742

Sl 75,006

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1=CC=C(C=C1)C(=NCCCCC(=O)O)C2=CC=CC=C2O
InChI
InChI=1S/C18H19NO3/c20-16-11-5-4-10-15(16)18(14-8-2-1-3-9-14)19-13-7-6-12-17(21)22/h1-5,8-11,20H,6-7,12-13H2,(H,21,22)
InChIKey
AOFJLTGDQZCNSY-UHFFFAOYSA-N
Compound name
5-[[(2-hydroxyphenyl)-phenylmethylidene]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 170.5
[M+Na]+ 320.125718 174.7
[M-H]- 296.129224 175.1
[M+NH4]+ 315.170323 184.0
[M+K]+ 336.099658 170.6
[M+H-H2O]+ 280.133760 162.1
[M+HCOO]- 342.134701 192.0
[M+CH3COO]- 356.150351 203.2
[M+Na-2H]- 318.111166 173.1
[M]+ 297.13595142 170.2
[M]- 297.13704858 170.2
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.