CID 145913400

2377035-10-2

Structural Information

Molecular Formula
C15H21ClN4O3
SMILES
CC(C)(C)OC(=O)NC1CCCN(C1)C(=O)C2=NN=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN4O3/c1-15(2,3)23-14(22)17-10-5-4-8-20(9-10)13(21)11-6-7-12(16)19-18-11/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,22)
InChIKey
ITBHSABWPRGRIO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(6-chloropyridazine-3-carbonyl)piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13022 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13750 177.1
[M+Na]+ 363.11944 187.2
[M+NH4]+ 358.16404 181.8
[M+K]+ 379.09338 183.1
[M-H]- 339.12294 177.3
[M+Na-2H]- 361.10489 181.6
[M]+ 340.12967 178.5
[M]- 340.13077 178.5
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.