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 181.0
[M+Na]+ 354.17882 188.4
[M-H]- 330.18232 184.4
[M+NH4]+ 349.22342 194.9
[M+K]+ 370.15276 186.0
[M+H-H2O]+ 314.18686 172.8
[M+HCOO]- 376.18780 197.6
[M+CH3COO]- 390.20345 215.4
[M+Na-2H]- 352.16427 182.8
[M]+ 331.18905 185.7
[M]- 331.19015 185.7
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.