CID 101443

Py-80

Structural Information

Molecular Formula
C10H12N7O3P
SMILES
C1=CC(=CC=C1N=NC2=C(N=C(N=C2N)N)N)P(=O)(O)O
InChI
InChI=1S/C10H12N7O3P/c11-8-7(9(12)15-10(13)14-8)17-16-5-1-3-6(4-2-5)21(18,19)20/h1-4H,(H2,18,19,20)(H6,11,12,13,14,15)
InChIKey
JYPHIJBAOKJHOJ-UHFFFAOYSA-N
Compound name
[4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]phenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0739 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08118 165.7
[M+Na]+ 332.06312 172.8
[M-H]- 308.06662 168.7
[M+NH4]+ 327.10772 176.0
[M+K]+ 348.03706 170.3
[M+H-H2O]+ 292.07116 154.0
[M+HCOO]- 354.07210 195.9
[M+CH3COO]- 368.08775 216.9
[M+Na-2H]- 330.04857 169.6
[M]+ 309.07335 162.2
[M]- 309.07445 162.2
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.