CID 3041588

54436-07-6

Structural Information

Molecular Formula
C19H27N3O3
SMILES
CCN(CC)CCN1CC2=C(C=CC3=C2C(=C(N3)C)C(=O)OC)OC1
InChI
InChI=1S/C19H27N3O3/c1-5-21(6-2)9-10-22-11-14-16(25-12-22)8-7-15-18(14)17(13(3)20-15)19(23)24-4/h7-8,20H,5-6,9-12H2,1-4H3
InChIKey
WDEAMKXBLNXLAJ-UHFFFAOYSA-N
Compound name
methyl 2-[2-(diethylamino)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

345.20523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.21251 185.7
[M+Na]+ 368.19445 192.6
[M-H]- 344.19795 188.9
[M+NH4]+ 363.23905 199.0
[M+K]+ 384.16839 190.0
[M+H-H2O]+ 328.20249 177.2
[M+HCOO]- 390.20343 201.9
[M+CH3COO]- 404.21908 218.3
[M+Na-2H]- 366.17990 187.0
[M]+ 345.20468 190.6
[M]- 345.20578 190.6
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.