CID 3055613

Pyrimidine, 1,4,5,6-tetrahydro-2-((2,3,5,6-tetramethylphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H22N2
SMILES
CC1=CC(=C(C(=C1C)CC2=NCCCN2)C)C
InChI
InChI=1S/C15H22N2/c1-10-8-11(2)13(4)14(12(10)3)9-15-16-6-5-7-17-15/h8H,5-7,9H2,1-4H3,(H,16,17)
InChIKey
YSFSXSFWRIICBB-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenyl)methyl]-1,4,5,6-tetrahydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1783 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 156.9
[M+Na]+ 253.16752 164.5
[M-H]- 229.17102 159.5
[M+NH4]+ 248.21212 172.3
[M+K]+ 269.14146 159.5
[M+H-H2O]+ 213.17556 148.7
[M+HCOO]- 275.17650 173.9
[M+CH3COO]- 289.19215 193.0
[M+Na-2H]- 251.15297 159.1
[M]+ 230.17775 154.2
[M]- 230.17885 154.2
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.