CID 85971930

Cyprodinil tp2

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=CC(=NC(=N1)NC2=CC(=CC=C2)O)C3CC3
InChI
InChI=1S/C14H15N3O/c1-9-7-13(10-5-6-10)17-14(15-9)16-11-3-2-4-12(18)8-11/h2-4,7-8,10,18H,5-6H2,1H3,(H,15,16,17)
InChIKey
IGDCKQUNQPOPEU-UHFFFAOYSA-N
Compound name
3-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 156.7
[M+Na]+ 264.11072 166.7
[M-H]- 240.11422 163.5
[M+NH4]+ 259.15532 166.1
[M+K]+ 280.08466 160.7
[M+H-H2O]+ 224.11876 147.8
[M+HCOO]- 286.11970 179.0
[M+CH3COO]- 300.13535 168.1
[M+Na-2H]- 262.09617 162.8
[M]+ 241.12095 157.8
[M]- 241.12205 157.8
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

No patent data available for this compound.