CID 165362759

Dtxsid101020783

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=CC(=NC(=N1)NC2=CC=CC=C2)/C=C/CO
InChI
InChI=1S/C14H15N3O/c1-11-10-13(8-5-9-18)17-14(15-11)16-12-6-3-2-4-7-12/h2-8,10,18H,9H2,1H3,(H,15,16,17)/b8-5+
InChIKey
YDTGUMSCZSFBGT-VMPITWQZSA-N
Compound name
(E)-3-(2-anilino-6-methylpyrimidin-4-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 155.7
[M+Na]+ 264.11072 163.3
[M-H]- 240.11422 158.5
[M+NH4]+ 259.15532 169.6
[M+K]+ 280.08466 157.9
[M+H-H2O]+ 224.11876 146.8
[M+HCOO]- 286.11970 177.4
[M+CH3COO]- 300.13535 192.5
[M+Na-2H]- 262.09617 162.5
[M]+ 241.12095 154.7
[M]- 241.12205 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.