CID 392035

Nsc691834

Structural Information

Molecular Formula
C16H14ClN5O
SMILES
CC1=NNC(=O)C1C2CC(=NN=C2Cl)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H14ClN5O/c1-8-14(16(23)22-19-8)10-6-13(20-21-15(10)17)11-7-18-12-5-3-2-4-9(11)12/h2-5,7,10,14,18H,6H2,1H3,(H,22,23)
InChIKey
MDUITUKXEMODLB-UHFFFAOYSA-N
Compound name
4-[3-chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-yl]-3-methyl-1,4-dihydropyrazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.08868 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09596 176.5
[M+Na]+ 350.07790 188.0
[M-H]- 326.08140 179.3
[M+NH4]+ 345.12250 187.8
[M+K]+ 366.05184 179.2
[M+H-H2O]+ 310.08594 166.1
[M+HCOO]- 372.08688 187.1
[M+CH3COO]- 386.10253 186.1
[M+Na-2H]- 348.06335 176.0
[M]+ 327.08813 176.2
[M]- 327.08923 176.2
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.