CID 31677

Butachlor

Structural Information

Molecular Formula
C17H26ClNO2
SMILES
CCCCOCN(C1=C(C=CC=C1CC)CC)C(=O)CCl
InChI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
InChIKey
HKPHPIREJKHECO-UHFFFAOYSA-N
Compound name
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

168
References

35618
Patents

311.1652 Da
Monoisotopic Mass

4.5
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

literature stripe

Patent stripe

patents stripe