CID 392029

Nsc691828

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CC1=NNC(=O)C1C2CC(=NNC2=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H15N5O2/c1-8-14(16(23)21-18-8)10-6-13(19-20-15(10)22)11-7-17-12-5-3-2-4-9(11)12/h2-5,7,10,14,17H,6H2,1H3,(H,20,22)(H,21,23)
InChIKey
QVTRXVLXIVDHML-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1226 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12988 173.6
[M+Na]+ 332.11182 183.3
[M-H]- 308.11532 175.4
[M+NH4]+ 327.15642 184.1
[M+K]+ 348.08576 175.1
[M+H-H2O]+ 292.11986 163.9
[M+HCOO]- 354.12080 186.6
[M+CH3COO]- 368.13645 182.5
[M+Na-2H]- 330.09727 172.6
[M]+ 309.12205 169.2
[M]- 309.12315 169.2
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.