CID 510279

Carbamic acid, [[[4-[(5s)-5-[(acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]amino]carbonyl]-, ethyl ester

Structural Information

Molecular Formula
C16H19FN4O6
SMILES
CCOC(=O)NC(=O)NC1=C(C=C(C=C1)N2C[C@@H](OC2=O)CNC(=O)C)F
InChI
InChI=1S/C16H19FN4O6/c1-3-26-15(24)20-14(23)19-13-5-4-10(6-12(13)17)21-8-11(27-16(21)25)7-18-9(2)22/h4-6,11H,3,7-8H2,1-2H3,(H,18,22)(H2,19,20,23,24)/t11-/m0/s1
InChIKey
WRRBITMRLSUTSI-NSHDSACASA-N
Compound name
ethyl N-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamoyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

382.12888 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13616 186.7
[M+Na]+ 405.11810 191.0
[M-H]- 381.12160 191.7
[M+NH4]+ 400.16270 196.4
[M+K]+ 421.09204 190.7
[M+H-H2O]+ 365.12614 177.1
[M+HCOO]- 427.12708 207.0
[M+CH3COO]- 441.14273 224.0
[M+Na-2H]- 403.10355 185.4
[M]+ 382.12833 187.4
[M]- 382.12943 187.4
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