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]+ 313.20228 177.1
[M+Na]+ 335.18422 181.3
[M-H]- 311.18772 180.4
[M+NH4]+ 330.22882 188.3
[M+K]+ 351.15816 177.4
[M+H-H2O]+ 295.19226 165.7
[M+HCOO]- 357.19320 192.3
[M+CH3COO]- 371.20885 212.1
[M+Na-2H]- 333.16967 180.4
[M]+ 312.19445 174.6
[M]- 312.19555 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.