CID 11971361

4-morpholineethanamine, n-(4-methyl-6-(3-thienyl)-3-pyridazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H20N4OS
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CSC=C3
InChI
InChI=1S/C15H20N4OS/c1-12-10-14(13-2-9-21-11-13)17-18-15(12)16-3-4-19-5-7-20-8-6-19/h2,9-11H,3-8H2,1H3,(H,16,18)
InChIKey
OWNCAJBLUVKXDY-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-morpholin-4-ylethyl)-6-thiophen-3-ylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

304.13577 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14305 168.9
[M+Na]+ 327.12499 175.3
[M-H]- 303.12849 174.9
[M+NH4]+ 322.16959 180.4
[M+K]+ 343.09893 171.3
[M+H-H2O]+ 287.13303 159.2
[M+HCOO]- 349.13397 182.7
[M+CH3COO]- 363.14962 178.8
[M+Na-2H]- 325.11044 169.9
[M]+ 304.13522 168.3
[M]- 304.13632 168.3
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

patents stripe