CID 21925370

492431-11-5

Structural Information

Molecular Formula
C13H19ClN4O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-5-4-10(14)15-16-11/h4-5H,6-9H2,1-3H3
InChIKey
MIXODQAAOQHDTG-UHFFFAOYSA-N
Compound name
tert-butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

196
Patents

298.11966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12694 170.0
[M+Na]+ 321.10888 177.0
[M-H]- 297.11238 170.6
[M+NH4]+ 316.15348 180.5
[M+K]+ 337.08282 173.0
[M+H-H2O]+ 281.11692 160.3
[M+HCOO]- 343.11786 178.3
[M+CH3COO]- 357.13351 199.6
[M+Na-2H]- 319.09433 173.4
[M]+ 298.11911 169.9
[M]- 298.12021 169.9
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

patents stripe