CID 24980435

1031195-19-3

Structural Information

Molecular Formula
C21H21N3O3
SMILES
CC1=CC=C(O1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C(=O)C
InChI
InChI=1S/C21H21N3O3/c1-14-7-8-20(27-14)19-13-17(16-5-3-4-6-18(16)22-19)21(26)24-11-9-23(10-12-24)15(2)25/h3-8,13H,9-12H2,1-2H3
InChIKey
ZQJTYRXKAZFWPK-UHFFFAOYSA-N
Compound name
1-[4-[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

363.1583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 187.7
[M+Na]+ 386.14752 195.2
[M-H]- 362.15102 195.2
[M+NH4]+ 381.19212 197.0
[M+K]+ 402.12146 191.0
[M+H-H2O]+ 346.15556 176.9
[M+HCOO]- 408.15650 202.5
[M+CH3COO]- 422.17215 197.1
[M+Na-2H]- 384.13297 187.6
[M]+ 363.15775 188.2
[M]- 363.15885 188.2
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.