CID 5331010

1-[4-(aminosulfonyl)phenyl]-1,6-dihydropyrazolo[3,4-e]indazole-3-carboxamide

Structural Information

Molecular Formula
C15H12N6O3S
SMILES
C1=CC(=CC=C1N2C3=C4C=NN=C4C=CC3=C(N2)C(=O)N)S(=O)(=O)N
InChI
InChI=1S/C15H12N6O3S/c16-15(22)13-10-5-6-12-11(7-18-19-12)14(10)21(20-13)8-1-3-9(4-2-8)25(17,23)24/h1-7,20H,(H2,16,22)(H2,17,23,24)
InChIKey
BMHIIUZLKDDAPX-UHFFFAOYSA-N
Compound name
1-(4-sulfamoylphenyl)-2H-pyrazolo[3,4-e]indazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

356.06915 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.07643 179.1
[M+Na]+ 379.05837 191.9
[M-H]- 355.06187 183.6
[M+NH4]+ 374.10297 191.5
[M+K]+ 395.03231 185.6
[M+H-H2O]+ 339.06641 172.6
[M+HCOO]- 401.06735 195.0
[M+CH3COO]- 415.08300 189.9
[M+Na-2H]- 377.04382 183.4
[M]+ 356.06860 183.2
[M]- 356.06970 183.2
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

patents stripe