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]+ 302.10231 166.3
[M+Na]+ 324.08425 173.1
[M-H]- 300.08775 175.3
[M+NH4]+ 319.12885 180.9
[M+K]+ 340.05819 173.2
[M+H-H2O]+ 284.09229 159.0
[M+HCOO]- 346.09323 188.5
[M+CH3COO]- 360.10888 202.7
[M+Na-2H]- 322.06970 172.3
[M]+ 301.09448 171.2
[M]- 301.09558 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.