CID 3088561

3-pyridazinamine, 4-methyl-6-phenyl-n-(2-(1-pyrrolidinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H22N4
SMILES
CC1=CC(=NN=C1NCCN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N4/c1-14-13-16(15-7-3-2-4-8-15)19-20-17(14)18-9-12-21-10-5-6-11-21/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,18,20)
InChIKey
BHXWTVPXUILQTE-UHFFFAOYSA-N
Compound name
4-methyl-6-phenyl-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.18445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19173 167.4
[M+Na]+ 305.17367 172.9
[M-H]- 281.17717 172.4
[M+NH4]+ 300.21827 180.1
[M+K]+ 321.14761 167.4
[M+H-H2O]+ 265.18171 156.2
[M+HCOO]- 327.18265 187.1
[M+CH3COO]- 341.19830 177.3
[M+Na-2H]- 303.15912 170.6
[M]+ 282.18390 164.4
[M]- 282.18500 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.