CID 485646

Vrc3577

Structural Information

Molecular Formula
C17H16FN5O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NC(=O)C3=NC=CN=C3)F
InChI
InChI=1S/C17H16FN5O4/c1-10(24)21-7-12-9-23(17(26)27-12)11-2-3-14(13(18)6-11)22-16(25)15-8-19-4-5-20-15/h2-6,8,12H,7,9H2,1H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKey
LPZILBKQRRZLLP-LBPRGKRZSA-N
Compound name
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.11862 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12590 185.4
[M+Na]+ 396.10784 191.6
[M-H]- 372.11134 191.1
[M+NH4]+ 391.15244 192.6
[M+K]+ 412.08178 188.5
[M+H-H2O]+ 356.11588 173.7
[M+HCOO]- 418.11682 203.4
[M+CH3COO]- 432.13247 220.2
[M+Na-2H]- 394.09329 185.9
[M]+ 373.11807 184.4
[M]- 373.11917 184.4
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

No patent data available for this compound.