CID 71316735

Fenpropimorph acid

Structural Information

Molecular Formula
C20H31NO3
SMILES
C[C@@H]1CN(C[C@@H](O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C(=O)O
InChI
InChI=1S/C20H31NO3/c1-14(11-21-12-15(2)24-16(3)13-21)10-17-6-8-18(9-7-17)20(4,5)19(22)23/h6-9,14-16H,10-13H2,1-5H3,(H,22,23)/t14?,15-,16+
InChIKey
OZMMLYFAEKBWEE-MQVJKMGUSA-N
Compound name
2-[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]phenyl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

333.2304 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 183.4
[M+Na]+ 356.21962 186.8
[M-H]- 332.22312 187.0
[M+NH4]+ 351.26422 193.9
[M+K]+ 372.19356 184.9
[M+H-H2O]+ 316.22766 175.5
[M+HCOO]- 378.22860 195.0
[M+CH3COO]- 392.24425 212.3
[M+Na-2H]- 354.20507 182.4
[M]+ 333.22985 182.8
[M]- 333.23095 182.8
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

patents stripe