CID 3063584

N,n-diethyl-4-(2-quinolyl)-1-piperazinecarboxamide monohydrochloride

Structural Information

Molecular Formula
C18H24N4O
SMILES
CCN(CC)C(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H24N4O/c1-3-20(4-2)18(23)22-13-11-21(12-14-22)17-10-9-15-7-5-6-8-16(15)19-17/h5-10H,3-4,11-14H2,1-2H3
InChIKey
CMSONEVDYVNEHA-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-quinolin-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.202276 177.1
[M+Na]+ 335.184218 181.3
[M-H]- 311.187724 180.4
[M+NH4]+ 330.228823 188.3
[M+K]+ 351.158158 177.4
[M+H-H2O]+ 295.192260 165.7
[M+HCOO]- 357.193201 192.3
[M+CH3COO]- 371.208851 212.1
[M+Na-2H]- 333.169666 180.4
[M]+ 312.19445142 174.6
[M]- 312.19554858 174.6
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.