CID 3041586

54436-05-4

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN4CCCC4)C
InChI
InChI=1S/C20H27N3O3/c1-3-25-20(24)18-14(2)21-16-6-7-17-15(19(16)18)12-23(13-26-17)11-10-22-8-4-5-9-22/h6-7,21H,3-5,8-13H2,1-2H3
InChIKey
RZAPJTBWOJKNLP-UHFFFAOYSA-N
Compound name
ethyl 8-methyl-2-(2-pyrrolidin-1-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

357.20523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 187.6
[M+Na]+ 380.19445 193.9
[M-H]- 356.19795 191.1
[M+NH4]+ 375.23905 199.9
[M+K]+ 396.16839 189.7
[M+H-H2O]+ 340.20249 178.9
[M+HCOO]- 402.20343 200.0
[M+CH3COO]- 416.21908 196.2
[M+Na-2H]- 378.17990 185.3
[M]+ 357.20468 188.3
[M]- 357.20578 188.3
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.