CID 118037

Brn 0808057

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC1(CNC(=NC1)C(C2=CC=CC=C2)OCC)CC
InChI
InChI=1S/C17H26N2O/c1-4-17(5-2)12-18-16(19-13-17)15(20-6-3)14-10-8-7-9-11-14/h7-11,15H,4-6,12-13H2,1-3H3,(H,18,19)
InChIKey
OWQPLCHSBZKODS-UHFFFAOYSA-N
Compound name
2-[ethoxy(phenyl)methyl]-5,5-diethyl-4,6-dihydro-1H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.9
[M+Na]+ 297.19372 173.3
[M-H]- 273.19722 170.4
[M+NH4]+ 292.23832 183.3
[M+K]+ 313.16766 169.2
[M+H-H2O]+ 257.20176 160.0
[M+HCOO]- 319.20270 184.5
[M+CH3COO]- 333.21835 197.9
[M+Na-2H]- 295.17917 172.1
[M]+ 274.20395 166.8
[M]- 274.20505 166.8
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.