CID 455519

Thienopyrimid 2n3-1ohme-etome nucl

Structural Information

Molecular Formula
C10H11N5O4S
SMILES
C1=CSC2=C1N(C(=O)NC2=O)COC(CN=[N+]=[N-])CO
InChI
InChI=1S/C10H11N5O4S/c11-14-12-3-6(4-16)19-5-15-7-1-2-20-8(7)9(17)13-10(15)18/h1-2,6,16H,3-5H2,(H,13,17,18)
InChIKey
ABQVOZFWGZVYOP-UHFFFAOYSA-N
Compound name
1-[(1-azido-3-hydroxypropan-2-yl)oxymethyl]thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.05316 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06044 157.9
[M+Na]+ 320.04238 166.5
[M-H]- 296.04588 160.8
[M+NH4]+ 315.08698 172.5
[M+K]+ 336.01632 157.6
[M+H-H2O]+ 280.05042 154.5
[M+HCOO]- 342.05136 180.0
[M+CH3COO]- 356.06701 196.0
[M+Na-2H]- 318.02783 165.9
[M]+ 297.05261 160.2
[M]- 297.05371 160.2
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.