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
6
Annotation Hits

22
References

28103
Patents

267.14706 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 162.4
[M+Na]+ 290.136278 168.2
[M-H]- 266.139784 165.9
[M+NH4]+ 285.180883 178.9
[M+K]+ 306.110218 167.8
[M+H-H2O]+ 250.144320 155.3
[M+HCOO]- 312.145261 185.4
[M+CH3COO]- 326.160911 201.3
[M+Na-2H]- 288.121726 164.4
[M]+ 267.14651142 167.8
[M]- 267.14760858 167.8
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