CID 455439

Chembl268086

Structural Information

Molecular Formula
C21H23N5O
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3
InChI
InChI=1S/C21H23N5O/c1-2-22-19-8-5-9-23-20(19)25-10-12-26(13-11-25)21(27)17-14-16-6-3-4-7-18(16)24-15-17/h3-9,14-15,22H,2,10-13H2,1H3
InChIKey
SYQITLQHUPVPJU-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-quinolin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.19025 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19753 189.3
[M+Na]+ 384.17947 194.1
[M-H]- 360.18297 193.1
[M+NH4]+ 379.22407 195.9
[M+K]+ 400.15341 187.0
[M+H-H2O]+ 344.18751 175.9
[M+HCOO]- 406.18845 202.6
[M+CH3COO]- 420.20410 196.3
[M+Na-2H]- 382.16492 193.6
[M]+ 361.18970 184.8
[M]- 361.19080 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.