CID 13187411

Phenmedipham-ethyl

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C17H18N2O4/c1-3-22-16(20)18-14-8-5-9-15(11-14)23-17(21)19-13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
MVEFZZKZBYQFPP-UHFFFAOYSA-N
Compound name
[3-(ethoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6738
Patents

314.12665 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 174.0
[M+Na]+ 337.11587 185.0
[M+NH4]+ 332.16047 179.9
[M+K]+ 353.08981 179.2
[M-H]- 313.11937 177.6
[M+Na-2H]- 335.10132 181.0
[M]+ 314.12610 176.2
[M]- 314.12720 176.2
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