CID 3010523

Dhadt

Structural Information

Molecular Formula
C11H19N3O5
SMILES
CC1(N(C(=O)NC(=O)N1[C@H]2C[C@@H]([C@H](O2)CO)O)C)C
InChI
InChI=1S/C11H19N3O5/c1-11(2)13(3)9(17)12-10(18)14(11)8-4-6(16)7(5-15)19-8/h6-8,15-16H,4-5H2,1-3H3,(H,12,17,18)/t6-,7+,8+/m0/s1
InChIKey
BDMYPJDXUXPNTO-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,6-trimethyl-1,3,5-triazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.13248 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13976 162.2
[M+Na]+ 296.12170 170.2
[M-H]- 272.12520 162.0
[M+NH4]+ 291.16630 175.3
[M+K]+ 312.09564 168.1
[M+H-H2O]+ 256.12974 156.1
[M+HCOO]- 318.13068 172.9
[M+CH3COO]- 332.14633 192.2
[M+Na-2H]- 294.10715 161.1
[M]+ 273.13193 159.2
[M]- 273.13303 159.2
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.