CID 485672

Schembl8135435

Structural Information

Molecular Formula
C17H17N3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=CC=C4CO3
InChI
InChI=1S/C17H17N3O4/c1-11(21)18-8-14-9-20(17(22)24-14)12-4-5-15-16(7-12)23-10-13-3-2-6-19(13)15/h2-7,14H,8-10H2,1H3,(H,18,21)/t14-/m0/s1
InChIKey
HEHJDPPHYOTSOR-AWEZNQCLSA-N
Compound name
N-[[(5S)-2-oxo-3-(4H-pyrrolo[2,1-c][1,4]benzoxazin-7-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

327.12192 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 174.2
[M+Na]+ 350.11114 181.7
[M-H]- 326.11464 181.6
[M+NH4]+ 345.15574 188.0
[M+K]+ 366.08508 180.0
[M+H-H2O]+ 310.11918 166.9
[M+HCOO]- 372.12012 190.9
[M+CH3COO]- 386.13577 185.1
[M+Na-2H]- 348.09659 175.7
[M]+ 327.12137 176.0
[M]- 327.12247 176.0
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

patents stripe