CID 71749084

(2e)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetic acid

Structural Information

Molecular Formula
C17H17NO5
SMILES
CC1=C(C=CC(=C1)O)OCC2=CC=CC=C2/C(=N\OC)/C(=O)O
InChI
InChI=1S/C17H17NO5/c1-11-9-13(19)7-8-15(11)23-10-12-5-3-4-6-14(12)16(17(20)21)18-22-2/h3-9,19H,10H2,1-2H3,(H,20,21)/b18-16+
InChIKey
HEMVDCDJEKCCCZ-FBMGVBCBSA-N
Compound name
(2E)-2-[2-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyiminoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 171.0
[M+Na]+ 338.09992 177.2
[M-H]- 314.10342 176.6
[M+NH4]+ 333.14452 184.2
[M+K]+ 354.07386 174.9
[M+H-H2O]+ 298.10796 162.8
[M+HCOO]- 360.10890 193.2
[M+CH3COO]- 374.12455 207.1
[M+Na-2H]- 336.08537 173.0
[M]+ 315.11015 174.1
[M]- 315.11125 174.1
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.