CID 91742

Diethofencarb

Structural Information

Molecular Formula
C14H21NO4
SMILES
CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC
InChI
InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)
InChIKey
LNJNFVJKDJYTEU-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3,4-diethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

22
References

23101
Patents

267.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 162.3
[M+Na]+ 290.13628 172.2
[M+NH4]+ 285.18088 168.4
[M+K]+ 306.11022 167.4
[M-H]- 266.13978 163.1
[M+Na-2H]- 288.12173 166.3
[M]+ 267.14651 163.7
[M]- 267.14761 163.7
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