CID 159977

Azaphen

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
1
Annotation Hits

25
References

1075
Patents

297.15897 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16625 174.1
[M+Na]+ 320.14819 190.2
[M+NH4]+ 315.19279 181.8
[M+K]+ 336.12213 182.3
[M-H]- 296.15169 178.5
[M+Na-2H]- 318.13364 179.8
[M]+ 297.15842 177.8
[M]- 297.15952 177.8
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