CID 378833

Nsc662151

Structural Information

Molecular Formula
C16H21N5O9
SMILES
CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)N)C)N=O
InChI
InChI=1S/C16H21N5O9/c1-6(22)28-9-5-27-14(12(30-8(3)24)11(9)29-7(2)23)18-13-10(20-26)15(25)21(4)16(17)19-13/h9,11-12,14,18H,5H2,1-4H3,(H2,17,19)
InChIKey
ZNAJKVUCFKJSMJ-UHFFFAOYSA-N
Compound name
[4,5-diacetyloxy-6-[(2-amino-1-methyl-5-nitroso-6-oxopyrimidin-4-yl)amino]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.13394 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.14122 193.6
[M+Na]+ 450.12316 199.5
[M-H]- 426.12666 199.9
[M+NH4]+ 445.16776 198.9
[M+K]+ 466.09710 202.0
[M+H-H2O]+ 410.13120 183.3
[M+HCOO]- 472.13214 212.7
[M+CH3COO]- 486.14779 239.2
[M+Na-2H]- 448.10861 192.4
[M]+ 427.13339 199.5
[M]- 427.13449 199.5
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.