CID 135485260

Nsc692005

Structural Information

Molecular Formula
C15H14N4O3
SMILES
CC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C(=NN3)N)C(=O)C)O
InChI
InChI=1S/C15H14N4O3/c1-7-3-5-9(6-4-7)19-14(21)10(8(2)20)12-11(15(19)22)13(16)18-17-12/h3-6,21H,1-2H3,(H3,16,17,18)
InChIKey
CDEXRXPTPZXSKI-UHFFFAOYSA-N
Compound name
7-acetyl-3-amino-6-hydroxy-5-(4-methylphenyl)-1H-pyrazolo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1066 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.113876 168.5
[M+Na]+ 321.095818 180.5
[M-H]- 297.099324 171.5
[M+NH4]+ 316.140423 181.4
[M+K]+ 337.069758 174.3
[M+H-H2O]+ 281.103860 160.4
[M+HCOO]- 343.104801 187.8
[M+CH3COO]- 357.120451 179.9
[M+Na-2H]- 319.081266 170.5
[M]+ 298.10605142 169.9
[M]- 298.10714858 169.9
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.