CID 81715

Carbamic acid, [(4,6-dimethyl-1,3-phenylene)bis(methylene)]bis-, dimethyl ester

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 165.2
[M+Na]+ 303.13152 171.5
[M-H]- 279.13502 169.1
[M+NH4]+ 298.17612 181.2
[M+K]+ 319.10546 170.6
[M+H-H2O]+ 263.13956 158.0
[M+HCOO]- 325.14050 189.4
[M+CH3COO]- 339.15615 205.7
[M+Na-2H]- 301.11697 166.8
[M]+ 280.14175 169.3
[M]- 280.14285 169.3
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.