CID 3063586

1-piperazinecarboxamide, 4-(2-quinolinyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H16N4O
SMILES
C1CN(CCN1C2=NC3=CC=CC=C3C=C2)C(=O)N
InChI
InChI=1S/C14H16N4O/c15-14(19)18-9-7-17(8-10-18)13-6-5-11-3-1-2-4-12(11)16-13/h1-6H,7-10H2,(H2,15,19)
InChIKey
GQYOGWXVWRLALP-UHFFFAOYSA-N
Compound name
4-quinolin-2-ylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.13242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13970 159.7
[M+Na]+ 279.12164 165.7
[M-H]- 255.12514 162.0
[M+NH4]+ 274.16624 172.4
[M+K]+ 295.09558 161.0
[M+H-H2O]+ 239.12968 149.5
[M+HCOO]- 301.13062 175.3
[M+CH3COO]- 315.14627 169.3
[M+Na-2H]- 277.10709 164.9
[M]+ 256.13187 153.9
[M]- 256.13297 153.9
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

No patent data available for this compound.