CID 54688356

Mls000777623

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CC(C)CCN(CCC(C)C)C(=O)CC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C21H30N2O3/c1-14(2)9-11-23(12-10-15(3)4)19(24)13-17-20(25)16-7-5-6-8-18(16)22-21(17)26/h5-8,14-15H,9-13H2,1-4H3,(H2,22,25,26)
InChIKey
UKSLSFKPZIHOPM-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

358.22565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 189.5
[M+Na]+ 381.21487 193.7
[M-H]- 357.21837 190.5
[M+NH4]+ 376.25947 201.0
[M+K]+ 397.18881 190.0
[M+H-H2O]+ 341.22291 181.3
[M+HCOO]- 403.22385 204.9
[M+CH3COO]- 417.23950 221.0
[M+Na-2H]- 379.20032 187.7
[M]+ 358.22510 191.8
[M]- 358.22620 191.8
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.