CID 499677

Nsc696395

Structural Information

Molecular Formula
C15H24N4O7
SMILES
C1=CN(C(=O)N=C1NCCCCC(C(=O)O)N)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C15H24N4O7/c16-8(14(23)24)3-1-2-5-17-10-4-6-19(15(25)18-10)13-12(22)11(21)9(7-20)26-13/h4,6,8-9,11-13,20-22H,1-3,5,7,16H2,(H,23,24)(H,17,18,25)/t8?,9-,11-,12-,13-/m0/s1
InChIKey
MHOQXYXCNDOCHF-NQWDOWAHSA-N
Compound name
2-amino-6-[[1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.1645 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17178 184.3
[M+Na]+ 395.15372 187.9
[M-H]- 371.15722 183.6
[M+NH4]+ 390.19832 190.4
[M+K]+ 411.12766 186.0
[M+H-H2O]+ 355.16176 175.7
[M+HCOO]- 417.16270 197.6
[M+CH3COO]- 431.17835 214.8
[M+Na-2H]- 393.13917 181.3
[M]+ 372.16395 182.8
[M]- 372.16505 182.8
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.