CID 485685

Schembl8139928

Structural Information

Molecular Formula
C17H18N4O4
SMILES
CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C=CN=C4CO3
InChI
InChI=1S/C17H18N4O4/c1-2-16(22)19-8-12-9-21(17(23)25-12)11-3-4-13-14(7-11)24-10-15-18-5-6-20(13)15/h3-7,12H,2,8-10H2,1H3,(H,19,22)/t12-/m0/s1
InChIKey
JIBDAMMHYDKEQQ-LBPRGKRZSA-N
Compound name
N-[[(5S)-3-(4H-imidazo[2,1-c][1,4]benzoxazin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

342.1328 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14008 178.7
[M+Na]+ 365.12202 186.1
[M-H]- 341.12552 184.7
[M+NH4]+ 360.16662 190.4
[M+K]+ 381.09596 184.3
[M+H-H2O]+ 325.13006 170.3
[M+HCOO]- 387.13100 194.0
[M+CH3COO]- 401.14665 188.8
[M+Na-2H]- 363.10747 179.8
[M]+ 342.13225 180.9
[M]- 342.13335 180.9
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