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]+ 281.149576 165.2
[M+Na]+ 303.131518 171.5
[M-H]- 279.135024 169.1
[M+NH4]+ 298.176123 181.2
[M+K]+ 319.105458 170.6
[M+H-H2O]+ 263.139560 158.0
[M+HCOO]- 325.140501 189.4
[M+CH3COO]- 339.156151 205.7
[M+Na-2H]- 301.116966 166.8
[M]+ 280.14175142 169.3
[M]- 280.14284858 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.