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]+ 261.19615 164.7
[M+Na]+ 283.17809 168.2
[M-H]- 259.18159 166.0
[M+NH4]+ 278.22269 177.5
[M+K]+ 299.15203 164.5
[M+H-H2O]+ 243.18613 155.5
[M+HCOO]- 305.18707 179.5
[M+CH3COO]- 319.20272 196.3
[M+Na-2H]- 281.16354 166.2
[M]+ 260.18832 161.3
[M]- 260.18942 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.