CID 198329

54436-08-7

Structural Information

Molecular Formula
C19H25N3O4
SMILES
CC1=C(C2=C(N1)C=CC3=C2CN(CO3)CCN4CCOCC4)C(=O)OC
InChI
InChI=1S/C19H25N3O4/c1-13-17(19(23)24-2)18-14-11-22(6-5-21-7-9-25-10-8-21)12-26-16(14)4-3-15(18)20-13/h3-4,20H,5-12H2,1-2H3
InChIKey
ZCIBOLOZGULXSR-UHFFFAOYSA-N
Compound name
methyl 8-methyl-2-(2-morpholin-4-ylethyl)-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

359.1845 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19178 186.8
[M+Na]+ 382.17372 192.7
[M-H]- 358.17722 190.3
[M+NH4]+ 377.21832 195.5
[M+K]+ 398.14766 190.0
[M+H-H2O]+ 342.18176 176.9
[M+HCOO]- 404.18270 196.2
[M+CH3COO]- 418.19835 194.9
[M+Na-2H]- 380.15917 187.4
[M]+ 359.18395 186.8
[M]- 359.18505 186.8
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.