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

4802
Patents

298.17935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18663 173.2
[M+Na]+ 321.16857 177.8
[M-H]- 297.17207 178.2
[M+NH4]+ 316.21317 181.8
[M+K]+ 337.14251 173.6
[M+H-H2O]+ 281.17661 161.1
[M+HCOO]- 343.17755 189.7
[M+CH3COO]- 357.19320 182.0
[M+Na-2H]- 319.15402 178.6
[M]+ 298.17880 169.8
[M]- 298.17990 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.