CID 9610251

478534-21-3

Structural Information

Molecular Formula
C21H18N2O4
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C21H18N2O4/c24-17-8-11-19(20(25)12-17)21(26)23-22-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,23,26)/b22-13+
InChIKey
VHAIIZKEJFMUKF-LPYMAVHISA-N
Compound name
2,4-dihydroxy-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.12665 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.13393 184.1
[M+Na]+ 385.11587 189.3
[M-H]- 361.11937 192.4
[M+NH4]+ 380.16047 194.5
[M+K]+ 401.08981 184.5
[M+H-H2O]+ 345.12391 174.0
[M+HCOO]- 407.12485 208.0
[M+CH3COO]- 421.14050 216.7
[M+Na-2H]- 383.10132 188.2
[M]+ 362.12610 184.2
[M]- 362.12720 184.2
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.