CID 135483948

Nsc637689

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CCOC(=O)C\1=C(OC/C1=N/NC(=O)CC2=CC=CC=C2)NC(C)(C)C
InChI
InChI=1S/C19H25N3O4/c1-5-25-18(24)16-14(12-26-17(16)20-19(2,3)4)21-22-15(23)11-13-9-7-6-8-10-13/h6-10,20H,5,11-12H2,1-4H3,(H,22,23)/b21-14-
InChIKey
NMNOLMVTRYIUAO-STZFKDTASA-N
Compound name
ethyl (4E)-2-(tert-butylamino)-4-[(2-phenylacetyl)hydrazinylidene]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.1845 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 187.9
[M+Na]+ 382.17372 191.3
[M-H]- 358.17722 196.1
[M+NH4]+ 377.21832 200.5
[M+K]+ 398.14766 190.7
[M+H-H2O]+ 342.18176 179.6
[M+HCOO]- 404.18270 211.3
[M+CH3COO]- 418.19835 222.8
[M+Na-2H]- 380.15917 190.0
[M]+ 359.18395 190.6
[M]- 359.18505 190.6
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.