CID 54676672

Cbmicro_024675

Structural Information

Molecular Formula
C21H21ClN2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3Cl)O
InChI
InChI=1S/C21H21ClN2O3/c1-2-3-8-13-24-17-12-7-4-9-14(17)19(25)18(21(24)27)20(26)23-16-11-6-5-10-15(16)22/h4-7,9-12,25H,2-3,8,13H2,1H3,(H,23,26)
InChIKey
YJWWCLZDOZGSQE-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

384.12408 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13136 190.3
[M+Na]+ 407.11330 199.2
[M-H]- 383.11680 195.4
[M+NH4]+ 402.15790 201.9
[M+K]+ 423.08724 191.9
[M+H-H2O]+ 367.12134 181.7
[M+HCOO]- 429.12228 205.5
[M+CH3COO]- 443.13793 220.4
[M+Na-2H]- 405.09875 192.7
[M]+ 384.12353 195.0
[M]- 384.12463 195.0
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.