CID 491408

Abx 194

Structural Information

Molecular Formula
C18H19N3O5
SMILES
COC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C18H19N3O5/c1-24-17(22)19-8-15-9-21(18(23)26-15)13-5-4-12-10-25-11-14-3-2-6-20(14)16(12)7-13/h2-7,15H,8-11H2,1H3,(H,19,22)/t15-/m0/s1
InChIKey
LZFOUYCDZFTSJU-HNNXBMFYSA-N
Compound name
methyl N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13976 181.2
[M+Na]+ 380.12170 187.2
[M-H]- 356.12520 189.9
[M+NH4]+ 375.16630 193.0
[M+K]+ 396.09564 189.3
[M+H-H2O]+ 340.12974 173.7
[M+HCOO]- 402.13068 197.4
[M+CH3COO]- 416.14633 191.2
[M+Na-2H]- 378.10715 182.1
[M]+ 357.13193 181.5
[M]- 357.13303 181.5
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.