CID 3041587

54436-06-5

Structural Information

Molecular Formula
C20H27N3O4
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN4CCOCC4)C
InChI
InChI=1S/C20H27N3O4/c1-3-26-20(24)18-14(2)21-16-4-5-17-15(19(16)18)12-23(13-27-17)7-6-22-8-10-25-11-9-22/h4-5,21H,3,6-13H2,1-2H3
InChIKey
FTPRONNMKYJRNV-UHFFFAOYSA-N
Compound name
ethyl 8-methyl-2-(2-morpholin-4-ylethyl)-3,7-dihydro-1H-pyrrolo[3,2-f][1,3]benzoxazine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.20016 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.20744 191.3
[M+Na]+ 396.18938 203.0
[M+NH4]+ 391.23398 197.1
[M+K]+ 412.16332 199.3
[M-H]- 372.19288 195.3
[M+Na-2H]- 394.17483 192.3
[M]+ 373.19961 193.9
[M]- 373.20071 193.9
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.