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]+ 375.15508 187.7
[M+Na]+ 397.13702 194.2
[M-H]- 373.14052 191.5
[M+NH4]+ 392.18162 198.5
[M+K]+ 413.11096 192.7
[M+H-H2O]+ 357.14506 180.2
[M+HCOO]- 419.14600 203.5
[M+CH3COO]- 433.16165 219.2
[M+Na-2H]- 395.12247 189.8
[M]+ 374.14725 193.8
[M]- 374.14835 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