CID 492996

Azt-val

Structural Information

Molecular Formula
C17H22N6O8
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C(=O)N[C@@H](C(C)C)C(=O)O)N=[N+]=[N-]
InChI
InChI=1S/C17H22N6O8/c1-7(2)12(15(26)27)19-14(25)16(28)30-6-10-9(21-22-18)4-11(31-10)23-5-8(3)13(24)20-17(23)29/h5,7,9-12H,4,6H2,1-3H3,(H,19,25)(H,26,27)(H,20,24,29)/t9-,10+,11+,12-/m0/s1
InChIKey
UEBCUYPOMWJFKO-QCNOEVLYSA-N
Compound name
(2S)-2-[[2-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-2-oxoacetyl]amino]-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

438.1499 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.15718 196.6
[M+Na]+ 461.13912 198.9
[M-H]- 437.14262 201.8
[M+NH4]+ 456.18372 201.4
[M+K]+ 477.11306 194.4
[M+H-H2O]+ 421.14716 191.7
[M+HCOO]- 483.14810 216.3
[M+CH3COO]- 497.16375 228.8
[M+Na-2H]- 459.12457 197.3
[M]+ 438.14935 195.3
[M]- 438.15045 195.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.