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

7207
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 172.8
[M+Na]+ 337.11587 178.0
[M-H]- 313.11937 179.5
[M+NH4]+ 332.16047 186.5
[M+K]+ 353.08981 175.9
[M+H-H2O]+ 297.12391 164.0
[M+HCOO]- 359.12485 197.5
[M+CH3COO]- 373.14050 209.2
[M+Na-2H]- 335.10132 176.3
[M]+ 314.12610 175.0
[M]- 314.12720 175.0
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