CID 376227

Nsc656907

Structural Information

Molecular Formula
C20H31N3O6
SMILES
CC1=CN(C(=O)NC1=O)C(CO)OC(CN(C2C3CC4CC(C3)CC2C4)O)CO
InChI
InChI=1S/C20H31N3O6/c1-11-7-22(20(27)21-19(11)26)17(10-25)29-16(9-24)8-23(28)18-14-3-12-2-13(5-14)6-15(18)4-12/h7,12-18,24-25,28H,2-6,8-10H2,1H3,(H,21,26,27)
InChIKey
NFEIVXOYPNOTID-UHFFFAOYSA-N
Compound name
1-[1-[1-[2-adamantyl(hydroxy)amino]-3-hydroxypropan-2-yl]oxy-2-hydroxyethyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.22128 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22856 192.3
[M+Na]+ 432.21050 190.5
[M-H]- 408.21400 183.3
[M+NH4]+ 427.25510 202.5
[M+K]+ 448.18444 189.1
[M+H-H2O]+ 392.21854 184.7
[M+HCOO]- 454.21948 190.2
[M+CH3COO]- 468.23513 230.4
[M+Na-2H]- 430.19595 196.7
[M]+ 409.22073 193.9
[M]- 409.22183 193.9
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.