CID 3044299

Scs 97

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CCOC(=O)N(C1=CC=C(C=C1)C)C(=O)N
InChI
InChI=1S/C11H14N2O3/c1-3-16-11(15)13(10(12)14)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3,(H2,12,14)
InChIKey
UFLRKWJTMZTORL-UHFFFAOYSA-N
Compound name
ethyl N-carbamoyl-N-(4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

222.10045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 149.6
[M+Na]+ 245.089668 155.6
[M-H]- 221.093174 154.3
[M+NH4]+ 240.134273 167.7
[M+K]+ 261.063608 155.7
[M+H-H2O]+ 205.097710 142.6
[M+HCOO]- 267.098651 174.5
[M+CH3COO]- 281.114301 195.4
[M+Na-2H]- 243.075116 152.3
[M]+ 222.09990142 150.7
[M]- 222.10099858 150.7
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

patents stripe