CID 118056

Brn 0796825

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCOC(C1=CC=C(C=C1)C(C)C)C2=NCCCN2
InChI
InChI=1S/C16H24N2O/c1-4-19-15(16-17-10-5-11-18-16)14-8-6-13(7-9-14)12(2)3/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKey
YQEXPFNRQAWUCH-UHFFFAOYSA-N
Compound name
2-[ethoxy-(4-propan-2-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.7
[M+Na]+ 283.178088 168.2
[M-H]- 259.181594 166.0
[M+NH4]+ 278.222693 177.5
[M+K]+ 299.152028 164.5
[M+H-H2O]+ 243.186130 155.5
[M+HCOO]- 305.187071 179.5
[M+CH3COO]- 319.202721 196.3
[M+Na-2H]- 281.163536 166.2
[M]+ 260.18832142 161.3
[M]- 260.18941858 161.3
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.