CID 91650

Pyrimethanil

Structural Information

Molecular Formula
C12H13N3
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C
InChI
InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
InChIKey
ZLIBICFPKPWGIZ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

207
References

47366
Patents

199.11095 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 143.9
[M+Na]+ 222.10017 152.5
[M-H]- 198.10367 148.3
[M+NH4]+ 217.14477 160.3
[M+K]+ 238.07411 148.5
[M+H-H2O]+ 182.10821 135.2
[M+HCOO]- 244.10915 167.3
[M+CH3COO]- 258.12480 156.7
[M+Na-2H]- 220.08562 152.2
[M]+ 199.11040 143.3
[M]- 199.11150 143.3
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.