CID 5889665

Dimethomorph

Structural Information

Molecular Formula
C21H22ClNO4
SMILES
COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
InChIKey
QNBTYORWCCMPQP-NBVRZTHBSA-N
Compound name
(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

87
References

41430
Patents

387.12375 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13103 191.3
[M+Na]+ 410.11297 196.5
[M-H]- 386.11647 199.3
[M+NH4]+ 405.15757 200.3
[M+K]+ 426.08691 192.6
[M+H-H2O]+ 370.12101 181.5
[M+HCOO]- 432.12195 202.7
[M+CH3COO]- 446.13760 216.9
[M+Na-2H]- 408.09842 190.9
[M]+ 387.12320 193.4
[M]- 387.12430 193.4
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