CID 5200657

Piperonyl n-(4-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C16H15NO5
SMILES
COC1=CC=C(C=C1)NC(=O)OCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C16H15NO5/c1-19-13-5-3-12(4-6-13)17-16(18)20-9-11-2-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKey
ZQXPLYHFDWUBSB-UHFFFAOYSA-N
Compound name
1,3-benzodioxol-5-ylmethyl N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.09503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.102306 166.3
[M+Na]+ 324.084248 173.1
[M-H]- 300.087754 175.3
[M+NH4]+ 319.128853 180.9
[M+K]+ 340.058188 173.2
[M+H-H2O]+ 284.092290 159.0
[M+HCOO]- 346.093231 188.5
[M+CH3COO]- 360.108881 202.7
[M+Na-2H]- 322.069696 172.3
[M]+ 301.09448142 171.2
[M]- 301.09557858 171.2
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.