CID 103707

Brn 0808372

Structural Information

Molecular Formula
C18H28N2O
SMILES
CCCCN1CC(CN=C1C(C2=CC=CC=C2)OCC)C
InChI
InChI=1S/C18H28N2O/c1-4-6-12-20-14-15(3)13-19-18(20)17(21-5-2)16-10-8-7-9-11-16/h7-11,15,17H,4-6,12-14H2,1-3H3
InChIKey
QPFCPBGIHZXRES-UHFFFAOYSA-N
Compound name
1-butyl-2-[ethoxy(phenyl)methyl]-5-methyl-5,6-dihydro-4H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.22015 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.22743 173.3
[M+Na]+ 311.20937 186.1
[M+NH4]+ 306.25397 180.8
[M+K]+ 327.18331 178.0
[M-H]- 287.21287 176.6
[M+Na-2H]- 309.19482 180.0
[M]+ 288.21960 176.1
[M]- 288.22070 176.1
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.