CID 3041584

54436-03-2

Structural Information

Molecular Formula
C18H25N3O3
SMILES
CCOC(=O)C1=C(NC2=C1C3=C(C=C2)OCN(C3)CCN(C)C)C
InChI
InChI=1S/C18H25N3O3/c1-5-23-18(22)16-12(2)19-14-6-7-15-13(17(14)16)10-21(11-24-15)9-8-20(3)4/h6-7,19H,5,8-11H2,1-4H3
InChIKey
YVGMFLLCUZFICJ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(dimethylamino)ethyl]-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

331.1896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.19688 179.7
[M+Na]+ 354.17882 190.9
[M+NH4]+ 349.22342 186.1
[M+K]+ 370.15276 187.3
[M-H]- 330.18232 182.0
[M+Na-2H]- 352.16427 181.3
[M]+ 331.18905 181.7
[M]- 331.19015 181.7
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.