CID 9867770

282089-49-0

Structural Information

Molecular Formula
C24H26N2O6
SMILES
CCCCCOC1=C(C=CC2=C1NC(=O)C(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)OC
InChI
InChI=1S/C24H26N2O6/c1-3-4-5-10-30-22-19(29-2)9-7-16-12-17(24(28)26-21(16)22)23(27)25-13-15-6-8-18-20(11-15)32-14-31-18/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
GRAJFFFXJYFVOC-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-2-oxo-8-pentoxy-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

26
References

91
Patents

438.17908 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18636 205.3
[M+Na]+ 461.16830 211.5
[M-H]- 437.17180 212.3
[M+NH4]+ 456.21290 213.2
[M+K]+ 477.14224 209.1
[M+H-H2O]+ 421.17634 195.9
[M+HCOO]- 483.17728 221.4
[M+CH3COO]- 497.19293 231.1
[M+Na-2H]- 459.15375 207.2
[M]+ 438.17853 212.1
[M]- 438.17963 212.1
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

patents stripe