CID 135480609

(z)-1-(5-methyl-3-furyl)-2-(6-phenethylpyrimidin-4-yl)ethenol

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CC1=CC(=CO1)/C(=C/C2=NC=NC(=C2)CCC3=CC=CC=C3)/O
InChI
InChI=1S/C19H18N2O2/c1-14-9-16(12-23-14)19(22)11-18-10-17(20-13-21-18)8-7-15-5-3-2-4-6-15/h2-6,9-13,22H,7-8H2,1H3/b19-11-
InChIKey
BPSOYNBNYVXFJZ-ODLFYWEKSA-N
Compound name
(Z)-1-(5-methylfuran-3-yl)-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 173.1
[M+Na]+ 329.12606 180.3
[M-H]- 305.12956 179.6
[M+NH4]+ 324.17066 184.6
[M+K]+ 345.10000 175.5
[M+H-H2O]+ 289.13410 163.5
[M+HCOO]- 351.13504 192.5
[M+CH3COO]- 365.15069 183.7
[M+Na-2H]- 327.11151 175.6
[M]+ 306.13629 174.0
[M]- 306.13739 174.0
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.