CID 50417

1-methyl-4-ethyl-2-(alpha-methylbenzyl)bicarbamate

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCOC(=O)NN(C(C)C1=CC=CC=C1)C(=O)OC
InChI
InChI=1S/C13H18N2O4/c1-4-19-12(16)14-15(13(17)18-3)10(2)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3,(H,14,16)
InChIKey
QGDQFWZIIIUCRF-UHFFFAOYSA-N
Compound name
methyl N-(ethoxycarbonylamino)-N-(1-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 162.2
[M+Na]+ 289.115868 166.2
[M-H]- 265.119374 166.8
[M+NH4]+ 284.160473 178.5
[M+K]+ 305.089808 167.3
[M+H-H2O]+ 249.123910 154.5
[M+HCOO]- 311.124851 186.4
[M+CH3COO]- 325.140501 202.5
[M+Na-2H]- 287.101316 164.5
[M]+ 266.12610142 165.3
[M]- 266.12719858 165.3
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.