CID 3079444

125674-71-7

Structural Information

Molecular Formula
C15H21N2O3P
SMILES
CCOP(=O)(C1CC(=NO1)C2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C15H21N2O3P/c1-2-19-21(18,17-10-6-7-11-17)15-12-14(16-20-15)13-8-4-3-5-9-13/h3-5,8-9,15H,2,6-7,10-12H2,1H3
InChIKey
FIEZHSAXRNPCQA-UHFFFAOYSA-N
Compound name
5-[ethoxy(pyrrolidin-1-yl)phosphoryl]-3-phenyl-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.12897 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13625 171.1
[M+Na]+ 331.11819 175.3
[M-H]- 307.12169 176.9
[M+NH4]+ 326.16279 184.9
[M+K]+ 347.09213 174.5
[M+H-H2O]+ 291.12623 160.2
[M+HCOO]- 353.12717 194.1
[M+CH3COO]- 367.14282 201.2
[M+Na-2H]- 329.10364 169.4
[M]+ 308.12842 170.8
[M]- 308.12952 170.8
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