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 184.2
[M+Na]+ 368.19445 195.2
[M+NH4]+ 363.23905 190.5
[M+K]+ 384.16839 191.3
[M-H]- 344.19795 186.5
[M+Na-2H]- 366.17990 185.6
[M]+ 345.20468 186.2
[M]- 345.20578 186.2
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.