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]+ 298.14378 170.5
[M+Na]+ 320.12572 174.7
[M-H]- 296.12922 175.1
[M+NH4]+ 315.17032 184.0
[M+K]+ 336.09966 170.6
[M+H-H2O]+ 280.13376 162.1
[M+HCOO]- 342.13470 192.0
[M+CH3COO]- 356.15035 203.2
[M+Na-2H]- 318.11117 173.1
[M]+ 297.13595 170.2
[M]- 297.13705 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.