CID 392042

Nsc691841

Structural Information

Molecular Formula
C19H17ClN4
SMILES
C1C(C(=NN=C1C2=CNC3=CC=CC=C32)Cl)NCC4=CC=CC=C4
InChI
InChI=1S/C19H17ClN4/c20-19-18(21-11-13-6-2-1-3-7-13)10-17(23-24-19)15-12-22-16-9-5-4-8-14(15)16/h1-9,12,18,21-22H,10-11H2
InChIKey
DCZBRUFXIOGMBZ-UHFFFAOYSA-N
Compound name
N-benzyl-3-chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11417 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12145 177.2
[M+Na]+ 359.10339 186.4
[M-H]- 335.10689 182.5
[M+NH4]+ 354.14799 189.1
[M+K]+ 375.07733 177.1
[M+H-H2O]+ 319.11143 166.4
[M+HCOO]- 381.11237 192.4
[M+CH3COO]- 395.12802 187.0
[M+Na-2H]- 357.08884 182.5
[M]+ 336.11362 177.3
[M]- 336.11472 177.3
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.