CID 4199

Minaprine

Structural Information

Molecular Formula
C17H22N4O
SMILES
CC1=CC(=NN=C1NCCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
InChIKey
LDMWSLGGVTVJPG-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

146
References

4830
Patents

298.17935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 173.2
[M+Na]+ 321.168568 177.8
[M-H]- 297.172074 178.2
[M+NH4]+ 316.213173 181.8
[M+K]+ 337.142508 173.6
[M+H-H2O]+ 281.176610 161.1
[M+HCOO]- 343.177551 189.7
[M+CH3COO]- 357.193201 182.0
[M+Na-2H]- 319.154016 178.6
[M]+ 298.17880142 169.8
[M]- 298.17989858 169.8
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