CID 127504

3-methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine

Structural Information

Molecular Formula
C16H20N4O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C3=NN=C(C=C3)OC
InChI
InChI=1S/C16H20N4O/c1-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-7-16(21-2)18-17-15/h3-7,12H,8-11H2,1-2H3
InChIKey
DDOAUTHWSCUHQA-UHFFFAOYSA-N
Compound name
3-methoxy-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

56
Patents

284.1637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 170.5
[M+Na]+ 307.15292 177.1
[M-H]- 283.15642 174.0
[M+NH4]+ 302.19752 180.1
[M+K]+ 323.12686 171.9
[M+H-H2O]+ 267.16096 158.2
[M+HCOO]- 329.16190 185.6
[M+CH3COO]- 343.17755 179.7
[M+Na-2H]- 305.13837 174.5
[M]+ 284.16315 167.6
[M]- 284.16425 167.6
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