CID 50417

69353-17-9

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]+ 267.13393 162.2
[M+Na]+ 289.11587 166.2
[M-H]- 265.11937 166.8
[M+NH4]+ 284.16047 178.5
[M+K]+ 305.08981 167.3
[M+H-H2O]+ 249.12391 154.5
[M+HCOO]- 311.12485 186.4
[M+CH3COO]- 325.14050 202.5
[M+Na-2H]- 287.10132 164.5
[M]+ 266.12610 165.3
[M]- 266.12720 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.