CID 135541352

Schembl13754975

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)CCC2=CC(=NC=N2)/C=C(/C3=CC=CC=N3)\O
InChI
InChI=1S/C19H17N3O/c23-19(18-8-4-5-11-20-18)13-17-12-16(21-14-22-17)10-9-15-6-2-1-3-7-15/h1-8,11-14,23H,9-10H2/b19-13-
InChIKey
LZUKPPDCSONJQA-UYRXBGFRSA-N
Compound name
(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-2-ylethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

303.13718 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14446 173.0
[M+Na]+ 326.12640 179.2
[M-H]- 302.12990 176.6
[M+NH4]+ 321.17100 182.1
[M+K]+ 342.10034 172.0
[M+H-H2O]+ 286.13444 161.5
[M+HCOO]- 348.13538 190.6
[M+CH3COO]- 362.15103 182.0
[M+Na-2H]- 324.11185 178.8
[M]+ 303.13663 170.9
[M]- 303.13773 170.9
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