CID 86367

Cyprodinil

Structural Information

Molecular Formula
C14H15N3
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3
InChI
InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)
InChIKey
HAORKNGNJCEJBX-UHFFFAOYSA-N
Compound name
4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

104
References

55536
Patents

225.1266 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13388 153.7
[M+Na]+ 248.11582 163.3
[M-H]- 224.11932 161.4
[M+NH4]+ 243.16042 164.2
[M+K]+ 264.08976 157.9
[M+H-H2O]+ 208.12386 144.3
[M+HCOO]- 270.12480 177.3
[M+CH3COO]- 284.14045 165.5
[M+Na-2H]- 246.10127 160.9
[M]+ 225.12605 154.7
[M]- 225.12715 154.7
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