CID 459740

Ethyl hydroxy-(4-hydroxyanilino)-methyl-oxo-[?]carboxylate

Structural Information

Molecular Formula
C26H20N2O5
SMILES
CCOC(=O)C1=C2C3=CC=CC=C3C(=O)C4=C(C=CC(=C42)N(C1=O)C)NC5=CC=C(C=C5)O
InChI
InChI=1S/C26H20N2O5/c1-3-33-26(32)23-20-16-6-4-5-7-17(16)24(30)21-18(27-14-8-10-15(29)11-9-14)12-13-19(22(20)21)28(2)25(23)31/h4-13,27,29H,3H2,1-2H3
InChIKey
HQMRAMJYXWDCJY-UHFFFAOYSA-N
Compound name
ethyl 10-(4-hydroxyanilino)-14-methyl-8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-16-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1372 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14448 205.8
[M+Na]+ 463.12642 214.5
[M-H]- 439.12992 212.2
[M+NH4]+ 458.17102 215.7
[M+K]+ 479.10036 209.0
[M+H-H2O]+ 423.13446 194.5
[M+HCOO]- 485.13540 221.2
[M+CH3COO]- 499.15105 214.2
[M+Na-2H]- 461.11187 209.5
[M]+ 440.13665 210.4
[M]- 440.13775 210.4
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.