CID 17119

Fenyripol hydrochloride

Structural Information

Molecular Formula
C12H13N3O
SMILES
C1=CC=C(C=C1)C(CNC2=NC=CC=N2)O
InChI
InChI=1S/C12H13N3O/c16-11(10-5-2-1-3-6-10)9-15-12-13-7-4-8-14-12/h1-8,11,16H,9H2,(H,13,14,15)
InChIKey
OHHIAWWXDMYFGP-UHFFFAOYSA-N
Compound name
1-phenyl-2-(pyrimidin-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

215.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 148.0
[M+Na]+ 238.09509 161.2
[M+NH4]+ 233.13969 155.7
[M+K]+ 254.06903 154.5
[M-H]- 214.09859 151.4
[M+Na-2H]- 236.08054 157.6
[M]+ 215.10532 150.7
[M]- 215.10642 150.7
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

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