CID 392032

Nsc691831

Structural Information

Molecular Formula
C17H16N6O3
SMILES
CC1=NNC(=O)C1C2CC(=NN(C2=O)C(=O)N)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C17H16N6O3/c1-8-14(15(24)21-20-8)10-6-13(22-23(16(10)25)17(18)26)11-7-19-12-5-3-2-4-9(11)12/h2-5,7,10,14,19H,6H2,1H3,(H2,18,26)(H,21,24)
InChIKey
RVALZZMAGHPCHB-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1284 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13568 183.3
[M+Na]+ 375.11762 192.5
[M-H]- 351.12112 186.5
[M+NH4]+ 370.16222 192.2
[M+K]+ 391.09156 185.5
[M+H-H2O]+ 335.12566 173.6
[M+HCOO]- 397.12660 197.2
[M+CH3COO]- 411.14225 191.8
[M+Na-2H]- 373.10307 180.7
[M]+ 352.12785 179.9
[M]- 352.12895 179.9
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.