CID 6476740

Abx 101

Structural Information

Molecular Formula
C23H27N3O4
SMILES
CCCC/C=C/C(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C23H27N3O4/c1-2-3-4-5-8-22(27)24-13-20-14-26(23(28)30-20)18-10-9-17-15-29-16-19-7-6-11-25(19)21(17)12-18/h5-12,20H,2-4,13-16H2,1H3,(H,24,27)/b8-5+/t20-/m0/s1
InChIKey
UTDQLUHWNVCYMK-FKIZTMCRSA-N
Compound name
(E)-N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]hept-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.20016 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 204.8
[M+Na]+ 432.18938 212.2
[M+NH4]+ 427.23398 209.1
[M+K]+ 448.16332 210.9
[M-H]- 408.19288 208.2
[M+Na-2H]- 430.17483 204.3
[M]+ 409.19961 206.5
[M]- 409.20071 206.5
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.