CID 86298

Dimethomorph

Structural Information

Molecular Formula
C21H22ClNO4
SMILES
COC1=C(C=C(C=C1)C(=CC(=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
InChIKey
QNBTYORWCCMPQP-UHFFFAOYSA-N
Compound name
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

41603
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.