CID 135483950

Nsc637692

Structural Information

Molecular Formula
C24H21N3O5
SMILES
CCOC(=O)C\1=C(OC/C1=N\NC(=O)C2=CC=CC=C2O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H21N3O5/c1-2-31-24(30)21-19(26-27-22(29)17-11-5-6-13-20(17)28)14-32-23(21)25-18-12-7-9-15-8-3-4-10-16(15)18/h3-13,25,28H,2,14H2,1H3,(H,27,29)/b26-19+
InChIKey
GMMMRLPRVQDGQS-LGUFXXKBSA-N
Compound name
ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazinylidene]-2-(naphthalen-1-ylamino)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.14813 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.15541 200.6
[M+Na]+ 454.13735 204.7
[M-H]- 430.14085 211.8
[M+NH4]+ 449.18195 209.9
[M+K]+ 470.11129 202.1
[M+H-H2O]+ 414.14539 190.7
[M+HCOO]- 476.14633 223.3
[M+CH3COO]- 490.16198 234.7
[M+Na-2H]- 452.12280 202.9
[M]+ 431.14758 202.3
[M]- 431.14868 202.3
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.