CID 91644

Pretilachlor

Structural Information

Molecular Formula
C17H26ClNO2
SMILES
CCCOCCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
InChI
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
InChIKey
YLPGTOIOYRQOHV-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

69
References

29948
Patents

311.1652 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17248 176.2
[M+Na]+ 334.15442 182.2
[M-H]- 310.15792 180.4
[M+NH4]+ 329.19902 192.6
[M+K]+ 350.12836 178.5
[M+H-H2O]+ 294.16246 169.6
[M+HCOO]- 356.16340 194.7
[M+CH3COO]- 370.17905 213.0
[M+Na-2H]- 332.13987 176.5
[M]+ 311.16465 183.9
[M]- 311.16575 183.9
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.