CID 16040323

(6r)-2-amino-6-[2-(3'-methoxybiphenyl-3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one

Structural Information

Molecular Formula
C21H25N3O2
SMILES
C[C@]1(CC(=O)N(C(=N1)N)C)CCC2=CC(=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C21H25N3O2/c1-21(14-19(25)24(2)20(22)23-21)11-10-15-6-4-7-16(12-15)17-8-5-9-18(13-17)26-3/h4-9,12-13H,10-11,14H2,1-3H3,(H2,22,23)/t21-/m1/s1
InChIKey
VDFBMQAUECXNKR-OAQYLSRUSA-N
Compound name
(6R)-2-amino-6-[2-[3-(3-methoxyphenyl)phenyl]ethyl]-3,6-dimethyl-5H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
Patents

351.19467 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.201946 187.4
[M+Na]+ 374.183888 195.1
[M-H]- 350.187394 194.1
[M+NH4]+ 369.228493 199.2
[M+K]+ 390.157828 189.6
[M+H-H2O]+ 334.191930 176.6
[M+HCOO]- 396.192871 206.1
[M+CH3COO]- 410.208521 218.0
[M+Na-2H]- 372.169336 189.2
[M]+ 351.19412142 187.1
[M]- 351.19521858 187.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe