CID 6448437

Butenachlor

Structural Information

Molecular Formula
C17H24ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)N(COC/C=C\C)C(=O)CCl
InChI
InChI=1S/C17H24ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h4,7-10H,5-6,11-13H2,1-3H3/b7-4-
InChIKey
HZDIJTXDRLNTIS-DAXSKMNVSA-N
Compound name
N-[[(Z)-but-2-enoxy]methyl]-2-chloro-N-(2,6-diethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10857
Patents

309.14957 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15685 175.0
[M+Na]+ 332.13879 181.4
[M-H]- 308.14229 179.3
[M+NH4]+ 327.18339 191.5
[M+K]+ 348.11273 177.2
[M+H-H2O]+ 292.14683 168.5
[M+HCOO]- 354.14777 193.8
[M+CH3COO]- 368.16342 211.5
[M+Na-2H]- 330.12424 175.3
[M]+ 309.14902 181.9
[M]- 309.15012 181.9
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

patents stripe