CID 3013711

2(1h)-pyrimidinone, 4-amino-1-[(1r,4r)-4-(hydroxymethyl)-2,3-dimethyl-4-phenyl-2-cyclopenten-1-yl]-

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC1=C([C@](C[C@H]1N2C=CC(=NC2=O)N)(CO)C3=CC=CC=C3)C
InChI
InChI=1S/C18H21N3O2/c1-12-13(2)18(11-22,14-6-4-3-5-7-14)10-15(12)21-9-8-16(19)20-17(21)23/h3-9,15,22H,10-11H2,1-2H3,(H2,19,20,23)/t15-,18+/m1/s1
InChIKey
KXFKNDZUISZHCO-QAPCUYQASA-N
Compound name
4-amino-1-[(1R,4R)-4-(hydroxymethyl)-2,3-dimethyl-4-phenylcyclopent-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.1634 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.170676 173.1
[M+Na]+ 334.152618 182.6
[M-H]- 310.156124 179.7
[M+NH4]+ 329.197223 188.0
[M+K]+ 350.126558 176.8
[M+H-H2O]+ 294.160660 164.3
[M+HCOO]- 356.161601 193.7
[M+CH3COO]- 370.177251 184.3
[M+Na-2H]- 332.138066 174.5
[M]+ 311.16285142 172.4
[M]- 311.16394858 172.4
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

No patent data available for this compound.