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]+ 257.139696 159.7
[M+Na]+ 279.121638 165.7
[M-H]- 255.125144 162.0
[M+NH4]+ 274.166243 172.4
[M+K]+ 295.095578 161.0
[M+H-H2O]+ 239.129680 149.5
[M+HCOO]- 301.130621 175.3
[M+CH3COO]- 315.146271 169.3
[M+Na-2H]- 277.107086 164.9
[M]+ 256.13187142 153.9
[M]- 256.13296858 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.