CID 2268695

303061-60-1

Structural Information

Molecular Formula
C12H16N2O5
SMILES
COC1=CC=C(C=C1)C(NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C12H16N2O5/c1-17-9-6-4-8(5-7-9)10(13-11(15)18-2)14-12(16)19-3/h4-7,10H,1-3H3,(H,13,15)(H,14,16)
InChIKey
PUSNRXFKTHMFJN-UHFFFAOYSA-N
Compound name
methyl N-[(methoxycarbonylamino)-(4-methoxyphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.10593 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 159.3
[M+Na]+ 291.09515 164.2
[M-H]- 267.09865 162.8
[M+NH4]+ 286.13975 174.9
[M+K]+ 307.06909 164.8
[M+H-H2O]+ 251.10319 151.8
[M+HCOO]- 313.10413 183.4
[M+CH3COO]- 327.11978 200.2
[M+Na-2H]- 289.08060 162.2
[M]+ 268.10538 162.7
[M]- 268.10648 162.7
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.