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]+ 242.128776 155.7
[M+Na]+ 264.110718 163.3
[M-H]- 240.114224 158.5
[M+NH4]+ 259.155323 169.6
[M+K]+ 280.084658 157.9
[M+H-H2O]+ 224.118760 146.8
[M+HCOO]- 286.119701 177.4
[M+CH3COO]- 300.135351 192.5
[M+Na-2H]- 262.096166 162.5
[M]+ 241.12095142 154.7
[M]- 241.12204858 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.