CID 3000308

3'(3(tetramebu)thioureido)-3'dt

Structural Information

Molecular Formula
C19H32N4O4S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=S)NC(C)(C)CC(C)(C)C
InChI
InChI=1S/C19H32N4O4S/c1-11-8-23(17(26)21-15(11)25)14-7-12(13(9-24)27-14)20-16(28)22-19(5,6)10-18(2,3)4/h8,12-14,24H,7,9-10H2,1-6H3,(H2,20,22,28)(H,21,25,26)/t12-,13+,14+/m0/s1
InChIKey
AFCADQKDXPEXAY-BFHYXJOUSA-N
Compound name
1-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]-3-(2,4,4-trimethylpentan-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.21442 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22170 202.0
[M+Na]+ 435.20364 206.8
[M-H]- 411.20714 204.2
[M+NH4]+ 430.24824 209.6
[M+K]+ 451.17758 202.8
[M+H-H2O]+ 395.21168 195.1
[M+HCOO]- 457.21262 210.2
[M+CH3COO]- 471.22827 224.6
[M+Na-2H]- 433.18909 200.0
[M]+ 412.21387 203.0
[M]- 412.21497 203.0
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.