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[4,3-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]+ 299.11388 168.5
[M+Na]+ 321.09582 180.5
[M-H]- 297.09932 171.5
[M+NH4]+ 316.14042 181.4
[M+K]+ 337.06976 174.3
[M+H-H2O]+ 281.10386 160.4
[M+HCOO]- 343.10480 187.8
[M+CH3COO]- 357.12045 179.9
[M+Na-2H]- 319.08127 170.5
[M]+ 298.10605 169.9
[M]- 298.10715 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.