CID 58479

101516-96-5

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)OCCC3=CC=CC=N3
InChI
InChI=1S/C15H14N2O4/c18-15(19-8-6-11-3-1-2-7-16-11)17-12-4-5-13-14(9-12)21-10-20-13/h1-5,7,9H,6,8,10H2,(H,17,18)
InChIKey
OIVSQFSWQKKYCO-UHFFFAOYSA-N
Compound name
2-pyridin-2-ylethyl N-(1,3-benzodioxol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 164.1
[M+Na]+ 309.08459 176.3
[M+NH4]+ 304.12919 171.2
[M+K]+ 325.05853 172.6
[M-H]- 285.08809 169.8
[M+Na-2H]- 307.07004 169.8
[M]+ 286.09482 167.3
[M]- 286.09592 167.3
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.