CID 5470104

Nsc697657

Structural Information

Molecular Formula
C22H25N5O4
SMILES
C1COCCN1CC2CN(/C(=N/C(=O)NC3=CC=CC=C3)/O2)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C22H25N5O4/c28-20(23-17-7-3-1-4-8-17)25-22-27(21(29)24-18-9-5-2-6-10-18)16-19(31-22)15-26-11-13-30-14-12-26/h1-10,19H,11-16H2,(H,23,28)(H,24,29)/b25-22-
InChIKey
JEIGRPZHZAVGHD-LVWGJNHUSA-N
Compound name
(2Z)-5-(morpholin-4-ylmethyl)-N-phenyl-2-(phenylcarbamoylimino)-1,3-oxazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.19064 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19792 200.1
[M+Na]+ 446.17986 200.4
[M-H]- 422.18336 211.1
[M+NH4]+ 441.22446 204.4
[M+K]+ 462.15380 198.9
[M+H-H2O]+ 406.18790 187.8
[M+HCOO]- 468.18884 217.3
[M+CH3COO]- 482.20449 206.9
[M+Na-2H]- 444.16531 200.9
[M]+ 423.19009 195.2
[M]- 423.19119 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

No patent data available for this compound.