CID 24743

Desmedipham

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CCOC(=O)NC1=CC(=CC=C1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)
InChIKey
WZJZMXBKUWKXTQ-UHFFFAOYSA-N
Compound name
[3-(ethoxycarbonylamino)phenyl] N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

13
References

23302
Patents

300.111 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.1
[M+Na]+ 323.10022 172.8
[M-H]- 299.10372 174.6
[M+NH4]+ 318.14482 182.0
[M+K]+ 339.07416 170.8
[M+H-H2O]+ 283.10826 159.2
[M+HCOO]- 345.10920 193.1
[M+CH3COO]- 359.12485 205.0
[M+Na-2H]- 321.08567 172.8
[M]+ 300.11045 169.5
[M]- 300.11155 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe