CID 8022646

104571-66-6

Structural Information

Molecular Formula
C19H22N2O6
SMILES
CCN1C=C(C(=O)C2=CC3=C(C=C21)OCO3)C(=O)NCCCCCC(=O)O
InChI
InChI=1S/C19H22N2O6/c1-2-21-10-13(19(25)20-7-5-3-4-6-17(22)23)18(24)12-8-15-16(9-14(12)21)27-11-26-15/h8-10H,2-7,11H2,1H3,(H,20,25)(H,22,23)
InChIKey
LEMZIFZTPWXQGL-UHFFFAOYSA-N
Compound name
6-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.1478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.155076 187.7
[M+Na]+ 397.137018 194.2
[M-H]- 373.140524 191.5
[M+NH4]+ 392.181623 198.5
[M+K]+ 413.110958 192.7
[M+H-H2O]+ 357.145060 180.2
[M+HCOO]- 419.146001 203.5
[M+CH3COO]- 433.161651 219.2
[M+Na-2H]- 395.122466 189.8
[M]+ 374.14725142 193.8
[M]- 374.14834858 193.8
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

patents stripe