CID 379791

Nsc664883

Structural Information

Molecular Formula
C10H13N6O3P
SMILES
C1C(C=CC1N2C3=NC=NC(=C3N=N2)N)CP(=O)(O)O
InChI
InChI=1S/C10H13N6O3P/c11-9-8-10(13-5-12-9)16(15-14-8)7-2-1-6(3-7)4-20(17,18)19/h1-2,5-7H,3-4H2,(H2,11,12,13)(H2,17,18,19)
InChIKey
HLAPDMCSRSNPQS-UHFFFAOYSA-N
Compound name
[4-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)cyclopent-2-en-1-yl]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.07867 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08595 164.6
[M+Na]+ 319.06789 173.3
[M-H]- 295.07139 163.3
[M+NH4]+ 314.11249 176.1
[M+K]+ 335.04183 170.0
[M+H-H2O]+ 279.07593 153.6
[M+HCOO]- 341.07687 186.0
[M+CH3COO]- 355.09252 198.1
[M+Na-2H]- 317.05334 165.6
[M]+ 296.07812 164.3
[M]- 296.07922 164.3
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

No patent data available for this compound.