CID 31129

Brn 1155231

Structural Information

Molecular Formula
C15H21N3O3
SMILES
C1COCCN1CCNC(=O)C2CNC3=CC=CC=C3O2
InChI
InChI=1S/C15H21N3O3/c19-15(16-5-6-18-7-9-20-10-8-18)14-11-17-12-3-1-2-4-13(12)21-14/h1-4,14,17H,5-11H2,(H,16,19)
InChIKey
BIIXKXLZKHSKGB-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.165576 168.3
[M+Na]+ 314.147518 170.4
[M-H]- 290.151024 170.9
[M+NH4]+ 309.192123 177.2
[M+K]+ 330.121458 168.7
[M+H-H2O]+ 274.155560 158.2
[M+HCOO]- 336.156501 179.5
[M+CH3COO]- 350.172151 176.1
[M+Na-2H]- 312.132966 173.3
[M]+ 291.15775142 162.2
[M]- 291.15884858 162.2
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.