CID 135491445

Chembl189627

Structural Information

Molecular Formula
C18H12N6O7
SMILES
C1=CC2=C(C3=C(NN=C3C(=C2C=C1)O)C(=O)NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C18H12N6O7/c25-16-9-3-1-2-4-10(9)17(26)14-13(16)15(21-20-14)18(27)22-19-11-6-5-8(23(28)29)7-12(11)24(30)31/h1-7,19,25-26H,(H,20,21)(H,22,27)
InChIKey
LHICGSDLDQRSFH-UHFFFAOYSA-N
Compound name
N'-(2,4-dinitrophenyl)-4,9-dihydroxy-2H-benzo[f]indazole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

424.07675 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.08403 181.6
[M+Na]+ 447.06597 184.7
[M-H]- 423.06947 185.1
[M+NH4]+ 442.11057 187.1
[M+K]+ 463.03991 172.4
[M+H-H2O]+ 407.07401 180.9
[M+HCOO]- 469.07495 201.1
[M+CH3COO]- 483.09060 213.4
[M+Na-2H]- 445.05142 193.4
[M]+ 424.07620 177.6
[M]- 424.07730 177.6
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.