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]+ 312.17068 173.1
[M+Na]+ 334.15262 182.6
[M-H]- 310.15612 179.7
[M+NH4]+ 329.19722 188.0
[M+K]+ 350.12656 176.8
[M+H-H2O]+ 294.16066 164.3
[M+HCOO]- 356.16160 193.7
[M+CH3COO]- 370.17725 184.3
[M+Na-2H]- 332.13807 174.5
[M]+ 311.16285 172.4
[M]- 311.16395 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.