CID 51071992

Metazachlor metabolite m6

Structural Information

Molecular Formula
C14H17N3O
SMILES
CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)C
InChI
InChI=1S/C14H17N3O/c1-11-6-4-7-12(2)14(11)17(13(3)18)10-16-9-5-8-15-16/h4-9H,10H2,1-3H3
InChIKey
JXUANMZOSNWAMI-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

6
Patents

243.13716 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.144436 156.3
[M+Na]+ 266.126378 164.0
[M-H]- 242.129884 162.2
[M+NH4]+ 261.170983 173.4
[M+K]+ 282.100318 161.8
[M+H-H2O]+ 226.134420 147.4
[M+HCOO]- 288.135361 179.9
[M+CH3COO]- 302.151011 199.2
[M+Na-2H]- 264.111826 159.0
[M]+ 243.13661142 158.6
[M]- 243.13770858 158.6
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