CID 81715

7292-08-2

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC1=CC(=C(C=C1CNC(=O)OC)CNC(=O)OC)C
InChI
InChI=1S/C14H20N2O4/c1-9-5-10(2)12(8-16-14(18)20-4)6-11(9)7-15-13(17)19-3/h5-6H,7-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKey
ZCUODHXZQUZIMU-UHFFFAOYSA-N
Compound name
methyl N-[[5-[(methoxycarbonylamino)methyl]-2,4-dimethylphenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 166.0
[M+Na]+ 303.13152 175.0
[M+NH4]+ 298.17612 171.2
[M+K]+ 319.10546 170.7
[M-H]- 279.13502 166.8
[M+Na-2H]- 301.11697 169.2
[M]+ 280.14175 167.0
[M]- 280.14285 167.0
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.