CID 4607150

Piperonyl n-phenylcarbamate

Structural Information

Molecular Formula
C15H13NO4
SMILES
C1OC2=C(O1)C=C(C=C2)COC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C15H13NO4/c17-15(16-12-4-2-1-3-5-12)18-9-11-6-7-13-14(8-11)20-10-19-13/h1-8H,9-10H2,(H,16,17)
InChIKey
LOTLGDVDJCHWAF-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylmethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 158.6
[M+Na]+ 294.07369 165.2
[M-H]- 270.07719 167.4
[M+NH4]+ 289.11829 174.2
[M+K]+ 310.04763 164.8
[M+H-H2O]+ 254.08173 151.5
[M+HCOO]- 316.08267 181.0
[M+CH3COO]- 330.09832 171.2
[M+Na-2H]- 292.05914 165.7
[M]+ 271.08392 161.3
[M]- 271.08502 161.3
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.