CID 452436

3-dimethylamino-4-hydroxybutylthymine

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC1=CN(C(=O)NC1=O)CC[C@H](CO)N(C)C
InChI
InChI=1S/C11H19N3O3/c1-8-6-14(11(17)12-10(8)16)5-4-9(7-15)13(2)3/h6,9,15H,4-5,7H2,1-3H3,(H,12,16,17)/t9-/m1/s1
InChIKey
UUJWHCPAPXBVSX-SECBINFHSA-N
Compound name
1-[(3R)-3-(dimethylamino)-4-hydroxybutyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14992 154.0
[M+Na]+ 264.13186 161.9
[M-H]- 240.13536 154.1
[M+NH4]+ 259.17646 168.3
[M+K]+ 280.10580 159.6
[M+H-H2O]+ 224.13990 146.4
[M+HCOO]- 286.14084 173.8
[M+CH3COO]- 300.15649 195.1
[M+Na-2H]- 262.11731 156.4
[M]+ 241.14209 155.8
[M]- 241.14319 155.8
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.