CID 6252424

(2-styryl-5-tetrahydro-1h-pyrrol-1-yl-1,3-oxazol-4-yl)(triphenyl)phosphonium iodide

Structural Information

Molecular Formula
C33H30N2OP
SMILES
C1CCN(C1)C2=C(N=C(O2)/C=C/C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H30N2OP/c1-5-15-27(16-6-1)23-24-31-34-32(33(36-31)35-25-13-14-26-35)37(28-17-7-2-8-18-28,29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-12,15-24H,13-14,25-26H2/q+1/b24-23+
InChIKey
ONQYCNKVXSUONX-WCWDXBQESA-N
Compound name
triphenyl-[2-[(E)-2-phenylethenyl]-5-pyrrolidin-1-yl-1,3-oxazol-4-yl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.20956 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.21684 228.5
[M+Na]+ 524.19878 229.4
[M-H]- 500.20228 242.2
[M+NH4]+ 519.24338 231.9
[M+K]+ 540.17272 217.3
[M+H-H2O]+ 484.20682 215.1
[M+HCOO]- 546.20776 248.1
[M+CH3COO]- 560.22341 233.6
[M+Na-2H]- 522.18423 224.2
[M]+ 501.20901 222.3
[M]- 501.21011 222.3
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.