CID 135483945

Nsc637441

Structural Information

Molecular Formula
C20H18BrN3O5
SMILES
CCOC(=O)C\1=C(OC/C1=N\NC(=O)C2=CC=CC=C2O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H18BrN3O5/c1-2-28-20(27)17-15(23-24-18(26)14-5-3-4-6-16(14)25)11-29-19(17)22-13-9-7-12(21)8-10-13/h3-10,22,25H,2,11H2,1H3,(H,24,26)/b23-15+
InChIKey
WRDNFPGMZVYNOO-HZHRSRAPSA-N
Compound name
ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazinylidene]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.04297 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.05025 199.7
[M+Na]+ 482.03219 206.3
[M-H]- 458.03569 211.9
[M+NH4]+ 477.07679 210.8
[M+K]+ 498.00613 196.2
[M+H-H2O]+ 442.04023 195.2
[M+HCOO]- 504.04117 221.1
[M+CH3COO]- 518.05682 231.7
[M+Na-2H]- 480.01764 201.3
[M]+ 459.04242 219.1
[M]- 459.04352 219.1
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.