CID 24846082

Brn 5975017

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC(=O)C1=CC\2=C(C=C1)OC3(/C2=N\OC(=O)NC)CC3
InChI
InChI=1S/C14H14N2O4/c1-8(17)9-3-4-11-10(7-9)12(14(19-11)5-6-14)16-20-13(18)15-2/h3-4,7H,5-6H2,1-2H3,(H,15,18)/b16-12-
InChIKey
HHPIHVSPPKWTCJ-VBKFSLOCSA-N
Compound name
[(Z)-(5-acetylspiro[1-benzofuran-2,1'-cyclopropane]-3-ylidene)amino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 159.8
[M+Na]+ 297.084588 169.5
[M-H]- 273.088094 169.4
[M+NH4]+ 292.129193 175.1
[M+K]+ 313.058528 167.8
[M+H-H2O]+ 257.092630 154.5
[M+HCOO]- 319.093571 183.0
[M+CH3COO]- 333.109221 205.3
[M+Na-2H]- 295.070036 165.7
[M]+ 274.09482142 165.9
[M]- 274.09591858 165.9
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.