CID 13038274

6-nitrothieno[2,3-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C6H4N4O2S
SMILES
C1=C(SC2=NC=NC(=C21)N)[N+](=O)[O-]
InChI
InChI=1S/C6H4N4O2S/c7-5-3-1-4(10(11)12)13-6(3)9-2-8-5/h1-2H,(H2,7,8,9)
InChIKey
RIJGJQDJTPACJC-UHFFFAOYSA-N
Compound name
6-nitrothieno[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

196.0055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.01278 131.4
[M+Na]+ 218.99472 144.4
[M+NH4]+ 214.03932 139.8
[M+K]+ 234.96866 141.7
[M-H]- 194.99822 134.4
[M+Na-2H]- 216.98017 137.5
[M]+ 196.00495 134.3
[M]- 196.00605 134.3
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

patents stripe