CID 118067

33236-13-4

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCC(C1=CC=CC=C1)(C2=NCCCN2)OCC
InChI
InChI=1S/C15H22N2O/c1-3-15(18-4-2,13-9-6-5-7-10-13)14-16-11-8-12-17-14/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,16,17)
InChIKey
GXALRRQURQOPEN-UHFFFAOYSA-N
Compound name
2-(1-ethoxy-1-phenylpropyl)-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.6
[M+Na]+ 269.16244 164.6
[M-H]- 245.16594 161.8
[M+NH4]+ 264.20704 173.9
[M+K]+ 285.13638 160.6
[M+H-H2O]+ 229.17048 151.7
[M+HCOO]- 291.17142 176.1
[M+CH3COO]- 305.18707 190.9
[M+Na-2H]- 267.14789 166.4
[M]+ 246.17267 157.2
[M]- 246.17377 157.2
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.