CID 54708758

184536-32-1

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CCCCCCCCCCCC(=O)NC1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C21H30N2O3/c1-2-3-4-5-6-7-8-9-10-15-18(24)23-19-20(25)16-13-11-12-14-17(16)22-21(19)26/h11-14H,2-10,15H2,1H3,(H,23,24)(H2,22,25,26)
InChIKey
BXXOCUOSGNSMCT-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22565 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 189.3
[M+Na]+ 381.21487 193.8
[M-H]- 357.21837 188.6
[M+NH4]+ 376.25947 200.3
[M+K]+ 397.18881 187.6
[M+H-H2O]+ 341.22291 180.7
[M+HCOO]- 403.22385 206.2
[M+CH3COO]- 417.23950 215.9
[M+Na-2H]- 379.20032 190.6
[M]+ 358.22510 191.5
[M]- 358.22620 191.5
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.