CID 392031

Nsc691830

Structural Information

Molecular Formula
C22H19N5O2
SMILES
CC1=NNC(=O)C1C2CC(=NN(C2=O)C3=CC=CC=C3)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C22H19N5O2/c1-13-20(21(28)25-24-13)16-11-19(17-12-23-18-10-6-5-9-15(17)18)26-27(22(16)29)14-7-3-2-4-8-14/h2-10,12,16,20,23H,11H2,1H3,(H,25,28)
InChIKey
YEXUMQAANBDADK-UHFFFAOYSA-N
Compound name
6-(1H-indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15387 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16115 193.5
[M+Na]+ 408.14309 202.8
[M-H]- 384.14659 199.6
[M+NH4]+ 403.18769 201.0
[M+K]+ 424.11703 193.6
[M+H-H2O]+ 368.15113 182.0
[M+HCOO]- 430.15207 207.0
[M+CH3COO]- 444.16772 201.6
[M+Na-2H]- 406.12854 191.0
[M]+ 385.15332 190.5
[M]- 385.15442 190.5
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.