CID 11292824

Mandipropamid

Structural Information

Molecular Formula
C23H22ClNO4
SMILES
COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)OCC#C)OCC#C
InChI
InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)
InChIKey
KWLVWJPJKJMCSH-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-prop-2-ynoxyacetamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

30
References

22812
Patents

411.12375 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.13103 195.2
[M+Na]+ 434.11297 204.8
[M-H]- 410.11647 197.8
[M+NH4]+ 429.15757 202.2
[M+K]+ 450.08691 196.6
[M+H-H2O]+ 394.12101 179.8
[M+HCOO]- 456.12195 200.6
[M+CH3COO]- 470.13760 236.7
[M+Na-2H]- 432.09842 191.9
[M]+ 411.12320 190.9
[M]- 411.12430 190.9
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.