CID 135491444

Chembl364044

Structural Information

Molecular Formula
C12H10N4O3
SMILES
C1=CC2=C(C3=C(NN=C3C(=C2C=C1)O)C(=O)NN)O
InChI
InChI=1S/C12H10N4O3/c13-14-12(19)9-7-8(15-16-9)11(18)6-4-2-1-3-5(6)10(7)17/h1-4,17-18H,13H2,(H,14,19)(H,15,16)
InChIKey
IKECBCUNVMBDAM-UHFFFAOYSA-N
Compound name
4,9-dihydroxy-2H-benzo[f]indazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.0753 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08258 152.6
[M+Na]+ 281.06452 162.8
[M-H]- 257.06802 152.8
[M+NH4]+ 276.10912 168.4
[M+K]+ 297.03846 157.4
[M+H-H2O]+ 241.07256 146.1
[M+HCOO]- 303.07350 172.2
[M+CH3COO]- 317.08915 164.0
[M+Na-2H]- 279.04997 159.0
[M]+ 258.07475 151.4
[M]- 258.07585 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.