CID 394303

Nsc697670

Structural Information

Molecular Formula
C25H24NO2P
SMILES
CC(C)(C)C1=NC(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O1
InChI
InChI=1S/C25H24NO2P/c1-25(2,3)24-26-22(23(27)28-24)29(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3
InChIKey
SBDQICIAANDLNV-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(triphenyl-lambda5-phosphanylidene)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.15448 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16176 200.9
[M+Na]+ 424.14370 206.2
[M-H]- 400.14720 211.3
[M+NH4]+ 419.18830 210.3
[M+K]+ 440.11764 201.5
[M+H-H2O]+ 384.15174 188.5
[M+HCOO]- 446.15268 223.2
[M+CH3COO]- 460.16833 220.9
[M+Na-2H]- 422.12915 200.4
[M]+ 401.15393 199.9
[M]- 401.15503 199.9
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.