CID 3065547

108401-74-7

Structural Information

Molecular Formula
C17H21N3O4
SMILES
C1COCCN1C2=NC3=CC=CC=C3OC2C(=O)N4CCOCC4
InChI
InChI=1S/C17H21N3O4/c21-17(20-7-11-23-12-8-20)15-16(19-5-9-22-10-6-19)18-13-3-1-2-4-14(13)24-15/h1-4,15H,5-12H2
InChIKey
BCPCSIROGUOARW-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3-morpholin-4-yl-2H-1,4-benzoxazin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1532 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 179.4
[M+Na]+ 354.14242 182.3
[M-H]- 330.14592 185.5
[M+NH4]+ 349.18702 184.4
[M+K]+ 370.11636 182.1
[M+H-H2O]+ 314.15046 167.1
[M+HCOO]- 376.15140 186.6
[M+CH3COO]- 390.16705 186.7
[M+Na-2H]- 352.12787 182.4
[M]+ 331.15265 173.6
[M]- 331.15375 173.6
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.