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]+ 301.11828 167.6
[M+Na]+ 323.10022 176.7
[M-H]- 299.10372 176.9
[M+NH4]+ 318.14482 181.9
[M+K]+ 339.07416 174.1
[M+H-H2O]+ 283.10826 162.1
[M+HCOO]- 345.10920 190.4
[M+CH3COO]- 359.12485 210.3
[M+Na-2H]- 321.08567 172.6
[M]+ 300.11045 173.7
[M]- 300.11155 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.