CID 485742

Vrc3055

Structural Information

Molecular Formula
C18H16ClFN4O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)C(=O)NC3=CN=C(C=C3)Cl)F
InChI
InChI=1S/C18H16ClFN4O4/c1-10(25)21-8-13-9-24(18(27)28-13)12-3-4-14(15(20)6-12)17(26)23-11-2-5-16(19)22-7-11/h2-7,13H,8-9H2,1H3,(H,21,25)(H,23,26)/t13-/m0/s1
InChIKey
QKYXPFRTTWOEPS-ZDUSSCGKSA-N
Compound name
4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(6-chloropyridin-3-yl)-2-fluorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

406.0844 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09168 193.5
[M+Na]+ 429.07362 201.0
[M-H]- 405.07712 200.6
[M+NH4]+ 424.11822 202.0
[M+K]+ 445.04756 196.5
[M+H-H2O]+ 389.08166 183.2
[M+HCOO]- 451.08260 207.9
[M+CH3COO]- 465.09825 225.1
[M+Na-2H]- 427.05907 192.2
[M]+ 406.08385 195.2
[M]- 406.08495 195.2
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

patents stripe