CID 118059

Brn 0803086

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCCN1CCCN=C1C(C2=CC=CC=C2)OCC
InChI
InChI=1S/C17H26N2O/c1-3-5-13-19-14-9-12-18-17(19)16(20-4-2)15-10-7-6-8-11-15/h6-8,10-11,16H,3-5,9,12-14H2,1-2H3
InChIKey
ZTUBKTSYJXSXFD-UHFFFAOYSA-N
Compound name
1-butyl-2-[ethoxy(phenyl)methyl]-5,6-dihydro-4H-pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.9
[M+Na]+ 297.19372 172.6
[M-H]- 273.19722 171.2
[M+NH4]+ 292.23832 181.8
[M+K]+ 313.16766 169.0
[M+H-H2O]+ 257.20176 158.9
[M+HCOO]- 319.20270 185.8
[M+CH3COO]- 333.21835 201.0
[M+Na-2H]- 295.17917 171.4
[M]+ 274.20395 168.2
[M]- 274.20505 168.2
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.