CID 24846080

Brn 5983529

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC(=O)C1=CC\2=C(C=C1)OC3(/C2=N\OC(=O)NCC=C)CC3
InChI
InChI=1S/C16H16N2O4/c1-3-8-17-15(20)22-18-14-12-9-11(10(2)19)4-5-13(12)21-16(14)6-7-16/h3-5,9H,1,6-8H2,2H3,(H,17,20)/b18-14-
InChIKey
IEBZUXRACSYGJN-JXAWBTAJSA-N
Compound name
[(Z)-(5-acetylspiro[1-benzofuran-2,1'-cyclopropane]-3-ylidene)amino] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 167.6
[M+Na]+ 323.100218 176.7
[M-H]- 299.103724 176.9
[M+NH4]+ 318.144823 181.9
[M+K]+ 339.074158 174.1
[M+H-H2O]+ 283.108260 162.1
[M+HCOO]- 345.109201 190.4
[M+CH3COO]- 359.124851 210.3
[M+Na-2H]- 321.085666 172.6
[M]+ 300.11045142 173.7
[M]- 300.11154858 173.7
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.