CID 491404

Abx 105

Structural Information

Molecular Formula
C18H17Cl2N3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC(=O)C(Cl)Cl
InChI
InChI=1S/C18H17Cl2N3O4/c19-16(20)17(24)21-7-14-8-23(18(25)27-14)12-4-3-11-9-26-10-13-2-1-5-22(13)15(11)6-12/h1-6,14,16H,7-10H2,(H,21,24)/t14-/m0/s1
InChIKey
ONOSJTGBUGUKIZ-AWEZNQCLSA-N
Compound name
2,2-dichloro-N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.06688 192.7
[M+Na]+ 432.04882 201.0
[M-H]- 408.05232 200.1
[M+NH4]+ 427.09342 204.0
[M+K]+ 448.02276 200.6
[M+H-H2O]+ 392.05686 184.5
[M+HCOO]- 454.05780 198.8
[M+CH3COO]- 468.07345 201.6
[M+Na-2H]- 430.03427 191.2
[M]+ 409.05905 194.2
[M]- 409.06015 194.2
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.