CID 17749735

(6s)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3h)-one

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C[C@]1(CC(=O)N(C(=N1)N)C)C2=CC=CC(=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C19H21N3O2/c1-19(12-17(23)22(2)18(20)21-19)15-8-4-6-13(10-15)14-7-5-9-16(11-14)24-3/h4-11H,12H2,1-3H3,(H2,20,21)/t19-/m0/s1
InChIKey
LQOCXPOKEPYGTJ-IBGZPJMESA-N
Compound name
(6S)-2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

323.1634 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 178.7
[M+Na]+ 346.15262 187.4
[M-H]- 322.15612 185.9
[M+NH4]+ 341.19722 191.7
[M+K]+ 362.12656 182.2
[M+H-H2O]+ 306.16066 168.4
[M+HCOO]- 368.16160 198.1
[M+CH3COO]- 382.17725 212.1
[M+Na-2H]- 344.13807 181.6
[M]+ 323.16285 177.8
[M]- 323.16395 177.8
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