CID 159977

Pipofezine

Structural Information

Molecular Formula
C16H19N5O
SMILES
CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=CC=CC=C4O3)C
InChI
InChI=1S/C16H19N5O/c1-19-7-9-21(10-8-19)15-11-13-16(18-17-15)22-14-6-4-3-5-12(14)20(13)2/h3-6,11H,7-10H2,1-2H3
InChIKey
SDYYIRPAZHJOLM-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

1081
Patents

297.15897 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.166246 176.4
[M+Na]+ 320.148188 184.6
[M-H]- 296.151694 177.7
[M+NH4]+ 315.192793 185.0
[M+K]+ 336.122128 179.3
[M+H-H2O]+ 280.156230 163.5
[M+HCOO]- 342.157171 185.7
[M+CH3COO]- 356.172821 184.6
[M+Na-2H]- 318.133636 181.8
[M]+ 297.15842142 173.5
[M]- 297.15951858 173.5
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