CID 384516

Nsc674467

Structural Information

Molecular Formula
C20H35N3O6
SMILES
CC1=CN(C(=O)NC1=O)C(CO)OC(CN(CCC(C)CCC=C(C)C)O)CO
InChI
InChI=1S/C20H35N3O6/c1-14(2)6-5-7-15(3)8-9-22(28)11-17(12-24)29-18(13-25)23-10-16(4)19(26)21-20(23)27/h6,10,15,17-18,24-25,28H,5,7-9,11-13H2,1-4H3,(H,21,26,27)
InChIKey
FPXUNHIHXJSIGI-UHFFFAOYSA-N
Compound name
1-[1-[1-[3,7-dimethyloct-6-enyl(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

413.2526 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.25988 199.9
[M+Na]+ 436.24182 201.9
[M-H]- 412.24532 196.0
[M+NH4]+ 431.28642 205.2
[M+K]+ 452.21576 199.6
[M+H-H2O]+ 396.24986 191.3
[M+HCOO]- 458.25080 211.6
[M+CH3COO]- 472.26645 225.4
[M+Na-2H]- 434.22727 194.0
[M]+ 413.25205 202.9
[M]- 413.25315 202.9
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.