CID 3041583

54436-02-1

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)C(C)(C)C)C
InChI
InChI=1S/C18H24N2O3/c1-6-22-17(21)15-11(2)19-13-7-8-14-12(16(13)15)9-20(10-23-14)18(3,4)5/h7-8,19H,6,9-10H2,1-5H3
InChIKey
BZXCYIGWNTZMJQ-UHFFFAOYSA-N
Compound name
ethyl 2-tert-butyl-8-methyl-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

316.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 175.7
[M+Na]+ 339.16790 187.7
[M+NH4]+ 334.21250 182.3
[M+K]+ 355.14184 184.5
[M-H]- 315.17140 176.9
[M+Na-2H]- 337.15335 177.5
[M]+ 316.17813 177.7
[M]- 316.17923 177.7
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.