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]+ 332.196876 181.0
[M+Na]+ 354.178818 188.4
[M-H]- 330.182324 184.4
[M+NH4]+ 349.223423 194.9
[M+K]+ 370.152758 186.0
[M+H-H2O]+ 314.186860 172.8
[M+HCOO]- 376.187801 197.6
[M+CH3COO]- 390.203451 215.4
[M+Na-2H]- 352.164266 182.8
[M]+ 331.18905142 185.7
[M]- 331.19014858 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.