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]+ 231.185576 156.9
[M+Na]+ 253.167518 164.5
[M-H]- 229.171024 159.5
[M+NH4]+ 248.212123 172.3
[M+K]+ 269.141458 159.5
[M+H-H2O]+ 213.175560 148.7
[M+HCOO]- 275.176501 173.9
[M+CH3COO]- 289.192151 193.0
[M+Na-2H]- 251.152966 159.1
[M]+ 230.17775142 154.2
[M]- 230.17884858 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.