CID 455517

Thienopyrimid n3etome nucl

Structural Information

Molecular Formula
C9H9N5O3S
SMILES
C1=CSC2=C1N(C(=O)NC2=O)COCCN=[N+]=[N-]
InChI
InChI=1S/C9H9N5O3S/c10-13-11-2-3-17-5-14-6-1-4-18-7(6)8(15)12-9(14)16/h1,4H,2-3,5H2,(H,12,15,16)
InChIKey
HCHMLXQESBTUJL-UHFFFAOYSA-N
Compound name
1-(2-azidoethoxymethyl)thieno[3,2-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.0426 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04988 151.0
[M+Na]+ 290.03182 161.3
[M-H]- 266.03532 155.5
[M+NH4]+ 285.07642 167.8
[M+K]+ 306.00576 152.3
[M+H-H2O]+ 250.03986 147.6
[M+HCOO]- 312.04080 175.8
[M+CH3COO]- 326.05645 192.8
[M+Na-2H]- 288.01727 160.4
[M]+ 267.04205 154.1
[M]- 267.04315 154.1
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.