CID 118057

33236-00-9

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCCCOC(C1=CC=CC=C1)C2=NCCCN2
InChI
InChI=1S/C15H22N2O/c1-2-3-12-18-14(13-8-5-4-6-9-13)15-16-10-7-11-17-15/h4-6,8-9,14H,2-3,7,10-12H2,1H3,(H,16,17)
InChIKey
GXFOCBPQGIBWNY-UHFFFAOYSA-N
Compound name
2-[butoxy(phenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.0
[M+Na]+ 269.16244 163.3
[M-H]- 245.16594 161.0
[M+NH4]+ 264.20704 173.1
[M+K]+ 285.13638 159.3
[M+H-H2O]+ 229.17048 150.6
[M+HCOO]- 291.17142 176.2
[M+CH3COO]- 305.18707 191.3
[M+Na-2H]- 267.14789 164.0
[M]+ 246.17267 156.4
[M]- 246.17377 156.4
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.