CID 139595354

Mandipropamid metabolite u7

Structural Information

Molecular Formula
C23H26ClNO5
SMILES
COC1=C(C=CC(=C1)CCNC(=O)C(C2=CC=C(C=C2)Cl)OCC#C)OCCCO
InChI
InChI=1S/C23H26ClNO5/c1-3-14-30-22(18-6-8-19(24)9-7-18)23(27)25-12-11-17-5-10-20(21(16-17)28-2)29-15-4-13-26/h1,5-10,16,22,26H,4,11-15H2,2H3,(H,25,27)
InChIKey
HZMGFJYBLANDDN-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-N-[2-[4-(3-hydroxypropoxy)-3-methoxyphenyl]ethyl]-2-prop-2-ynoxyacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

431.14996 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.157236 201.7
[M+Na]+ 454.139178 209.0
[M-H]- 430.142684 203.9
[M+NH4]+ 449.183783 209.8
[M+K]+ 470.113118 201.9
[M+H-H2O]+ 414.147220 187.8
[M+HCOO]- 476.148161 212.2
[M+CH3COO]- 490.163811 230.5
[M+Na-2H]- 452.124626 199.4
[M]+ 431.14941142 202.8
[M]- 431.15050858 202.8
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

No patent data available for this compound.