CID 93365

Fenpropimorph

Structural Information

Molecular Formula
C20H33NO
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
InChIKey
RYAUSSKQMZRMAI-ALOPSCKCSA-N
Compound name
(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

107
References

55712
Patents

303.25623 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.26351 178.7
[M+Na]+ 326.24545 182.9
[M-H]- 302.24895 183.6
[M+NH4]+ 321.29005 191.6
[M+K]+ 342.21939 180.6
[M+H-H2O]+ 286.25349 170.6
[M+HCOO]- 348.25443 192.2
[M+CH3COO]- 362.27008 209.8
[M+Na-2H]- 324.23090 178.9
[M]+ 303.25568 178.2
[M]- 303.25678 178.2
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