CID 115946

63978-33-6

Structural Information

Molecular Formula
C17H21ClN4O2
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NN=C(C=C3)Cl)OC
InChI
InChI=1S/C17H21ClN4O2/c1-23-14-4-3-13(11-15(14)24-2)12-21-7-9-22(10-8-21)17-6-5-16(18)19-20-17/h3-6,11H,7-10,12H2,1-2H3
InChIKey
WAPCUBGTGCJROC-UHFFFAOYSA-N
Compound name
3-chloro-6-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1353 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.14258 182.9
[M+Na]+ 371.12452 190.4
[M-H]- 347.12802 186.2
[M+NH4]+ 366.16912 190.9
[M+K]+ 387.09846 184.4
[M+H-H2O]+ 331.13256 170.5
[M+HCOO]- 393.13350 193.1
[M+CH3COO]- 407.14915 191.4
[M+Na-2H]- 369.10997 185.2
[M]+ 348.13475 184.1
[M]- 348.13585 184.1
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.