CID 135483944

Nsc637438

Structural Information

Molecular Formula
C18H23N3O5
SMILES
CCCCNC1=C(/C(=N/NC(=O)C2=CC=CC=C2O)/CO1)C(=O)OCC
InChI
InChI=1S/C18H23N3O5/c1-3-5-10-19-17-15(18(24)25-4-2)13(11-26-17)20-21-16(23)12-8-6-7-9-14(12)22/h6-9,19,22H,3-5,10-11H2,1-2H3,(H,21,23)/b20-13+
InChIKey
SITHJXXPVWLOQI-DEDYPNTBSA-N
Compound name
ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazinylidene]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.16376 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.17104 186.2
[M+Na]+ 384.15298 189.8
[M-H]- 360.15648 193.3
[M+NH4]+ 379.19758 198.0
[M+K]+ 400.12692 188.7
[M+H-H2O]+ 344.16102 177.5
[M+HCOO]- 406.16196 210.1
[M+CH3COO]- 420.17761 221.4
[M+Na-2H]- 382.13843 186.8
[M]+ 361.16321 189.1
[M]- 361.16431 189.1
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.