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]+ 275.10265 159.8
[M+Na]+ 297.08459 169.5
[M-H]- 273.08809 169.4
[M+NH4]+ 292.12919 175.1
[M+K]+ 313.05853 167.8
[M+H-H2O]+ 257.09263 154.5
[M+HCOO]- 319.09357 183.0
[M+CH3COO]- 333.10922 205.3
[M+Na-2H]- 295.07004 165.7
[M]+ 274.09482 165.9
[M]- 274.09592 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.