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

21362
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

literature stripe

Patent stripe

patents stripe