CID 25265819

Bns-22

Structural Information

Molecular Formula
C24H25NO5
SMILES
CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)N3CCCC4=CC=CC=C43)OC)OC
InChI
InChI=1S/C24H25NO5/c1-4-8-16-13-20(26)30-23-21(16)18(28-2)14-19(29-3)22(23)24(27)25-12-7-10-15-9-5-6-11-17(15)25/h5-6,9,11,13-14H,4,7-8,10,12H2,1-3H3
InChIKey
LRPUQCTZOSTSGL-UHFFFAOYSA-N
Compound name
8-(3,4-dihydro-2H-quinoline-1-carbonyl)-5,7-dimethoxy-4-propylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

407.17328 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18056 198.8
[M+Na]+ 430.16250 206.5
[M-H]- 406.16600 206.3
[M+NH4]+ 425.20710 208.7
[M+K]+ 446.13644 203.4
[M+H-H2O]+ 390.17054 188.0
[M+HCOO]- 452.17148 213.8
[M+CH3COO]- 466.18713 227.5
[M+Na-2H]- 428.14795 200.8
[M]+ 407.17273 203.9
[M]- 407.17383 203.9
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