CID 53492

76410-23-6

Structural Information

Molecular Formula
C22H27NO5
SMILES
CCOC(=O)C1=C(OC2=C1C=CC3=C2C=CC=C3OCC(CNC(C)C)O)C
InChI
InChI=1S/C22H27NO5/c1-5-26-22(25)20-14(4)28-21-17-7-6-8-19(16(17)9-10-18(20)21)27-12-15(24)11-23-13(2)3/h6-10,13,15,23-24H,5,11-12H2,1-4H3
InChIKey
JCUVYBDZOSJPEK-UHFFFAOYSA-N
Compound name
ethyl 6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-methylbenzo[g][1]benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.18893 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.19621 194.8
[M+Na]+ 408.17815 201.1
[M-H]- 384.18165 199.6
[M+NH4]+ 403.22275 208.2
[M+K]+ 424.15209 199.2
[M+H-H2O]+ 368.18619 187.7
[M+HCOO]- 430.18713 213.2
[M+CH3COO]- 444.20278 224.1
[M+Na-2H]- 406.16360 195.3
[M]+ 385.18838 203.0
[M]- 385.18948 203.0
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.