CID 209826

20545-22-6

Structural Information

Molecular Formula
C13H20N3O2P
SMILES
CN(C)P(=O)(C1CC(=NO1)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C13H20N3O2P/c1-15(2)19(17,16(3)4)13-10-12(14-18-13)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3
InChIKey
SDXOFGIVBSVHBL-UHFFFAOYSA-N
Compound name
N-[dimethylamino-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphoryl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

281.1293 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13658 166.3
[M+Na]+ 304.11852 171.3
[M-H]- 280.12202 173.8
[M+NH4]+ 299.16312 182.2
[M+K]+ 320.09246 172.7
[M+H-H2O]+ 264.12656 155.7
[M+HCOO]- 326.12750 195.2
[M+CH3COO]- 340.14315 210.3
[M+Na-2H]- 302.10397 167.8
[M]+ 281.12875 169.5
[M]- 281.12985 169.5
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