CID 4356399

(5-morpholin-4-yl-2-phenyl-oxazol-4-yl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C31H28N2O2P
SMILES
C1COCCN1C2=C(N=C(O2)C3=CC=CC=C3)[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C31H28N2O2P/c1-5-13-25(14-6-1)29-32-30(31(35-29)33-21-23-34-24-22-33)36(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2/q+1
InChIKey
VUABUZUQEPVFEY-UHFFFAOYSA-N
Compound name
(5-morpholin-4-yl-2-phenyl-1,3-oxazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.18884 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.19612 225.2
[M+Na]+ 514.17806 226.0
[M-H]- 490.18156 238.7
[M+NH4]+ 509.22266 225.5
[M+K]+ 530.15200 216.1
[M+H-H2O]+ 474.18610 210.8
[M+HCOO]- 536.18704 242.1
[M+CH3COO]- 550.20269 230.1
[M+Na-2H]- 512.16351 224.2
[M]+ 491.18829 218.4
[M]- 491.18939 218.4
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.