CID 9589491

Hydrazinecarboxylic acid, (2-furanylmethylene)-, phenylmethyl ester

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1=CC=C(C=C1)COC(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C13H12N2O3/c16-13(15-14-9-12-7-4-8-17-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16)/b14-9+
InChIKey
LQPJHVJILKEPGH-NTEUORMPSA-N
Compound name
benzyl N-[(E)-furan-2-ylmethylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 155.6
[M+Na]+ 267.07402 166.3
[M+NH4]+ 262.11862 162.8
[M+K]+ 283.04796 162.1
[M-H]- 243.07752 160.8
[M+Na-2H]- 265.05947 163.0
[M]+ 244.08425 158.3
[M]- 244.08535 158.3
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.