CID 36324

Amitraz

Structural Information

Molecular Formula
C19H23N3
SMILES
CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C
InChI
InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3
InChIKey
QXAITBQSYVNQDR-UHFFFAOYSA-N
Compound name
N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

576
References

46685
Patents

293.1892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.196476 172.6
[M+Na]+ 316.178418 179.9
[M-H]- 292.181924 183.6
[M+NH4]+ 311.223023 189.8
[M+K]+ 332.152358 176.8
[M+H-H2O]+ 276.186460 163.3
[M+HCOO]- 338.187401 202.1
[M+CH3COO]- 352.203051 222.0
[M+Na-2H]- 314.163866 176.2
[M]+ 293.18865142 176.3
[M]- 293.18974858 176.3
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