CID 177258

Pseudomonine

Structural Information

Molecular Formula
C16H18N4O4
SMILES
CC1C(C(=O)N(O1)CCC2=CN=CN2)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C16H18N4O4/c1-10-14(19-15(22)12-4-2-3-5-13(12)21)16(23)20(24-10)7-6-11-8-17-9-18-11/h2-5,8-10,14,21H,6-7H2,1H3,(H,17,18)(H,19,22)
InChIKey
XYEWTJQWOJBDBL-UHFFFAOYSA-N
Compound name
2-hydroxy-N-[2-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-3-oxo-1,2-oxazolidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

13
Patents

330.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14008 175.7
[M+Na]+ 353.12202 182.0
[M-H]- 329.12552 180.5
[M+NH4]+ 348.16662 185.8
[M+K]+ 369.09596 178.6
[M+H-H2O]+ 313.13006 166.8
[M+HCOO]- 375.13100 192.8
[M+CH3COO]- 389.14665 205.2
[M+Na-2H]- 351.10747 174.2
[M]+ 330.13225 174.7
[M]- 330.13335 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe