CID 118066

Brn 0799367

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CCOC(C1=CC=CC=C1)C2=NCC(CN2)O
InChI
InChI=1S/C13H18N2O2/c1-2-17-12(10-6-4-3-5-7-10)13-14-8-11(16)9-15-13/h3-7,11-12,16H,2,8-9H2,1H3,(H,14,15)
InChIKey
YKAMYNVDXCQWSX-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.7
[M+Na]+ 257.126048 159.3
[M-H]- 233.129554 155.1
[M+NH4]+ 252.170653 167.8
[M+K]+ 273.099988 155.5
[M+H-H2O]+ 217.134090 146.0
[M+HCOO]- 279.135031 170.2
[M+CH3COO]- 293.150681 186.0
[M+Na-2H]- 255.111496 158.5
[M]+ 234.13628142 150.4
[M]- 234.13737858 150.4
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.