CID 491407

Abx 108

Structural Information

Molecular Formula
C17H17N3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC=O
InChI
InChI=1S/C17H17N3O4/c21-11-18-7-15-8-20(17(22)24-15)13-4-3-12-9-23-10-14-2-1-5-19(14)16(12)6-13/h1-6,11,15H,7-10H2,(H,18,21)/t15-/m0/s1
InChIKey
SRZMYABREVSJNX-HNNXBMFYSA-N
Compound name
N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.12920 174.0
[M+Na]+ 350.11114 180.9
[M-H]- 326.11464 182.6
[M+NH4]+ 345.15574 187.0
[M+K]+ 366.08508 181.6
[M+H-H2O]+ 310.11918 166.4
[M+HCOO]- 372.12012 191.2
[M+CH3COO]- 386.13577 184.5
[M+Na-2H]- 348.09659 176.1
[M]+ 327.12137 173.3
[M]- 327.12247 173.3
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.