CID 3290415

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

Structural Information

Molecular Formula
C26H27N3O2P
SMILES
CNC1=NC(=C(O1)N2CCOCC2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H27N3O2P/c1-27-26-28-24(25(31-26)29-17-19-30-20-18-29)32(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16H,17-20H2,1H3,(H,27,28)/q+1
InChIKey
KAWLFGQGGADIEY-UHFFFAOYSA-N
Compound name
[2-(methylamino)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.18408 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19136 211.0
[M+Na]+ 467.17330 212.2
[M-H]- 443.17680 222.5
[M+NH4]+ 462.21790 214.0
[M+K]+ 483.14724 203.2
[M+H-H2O]+ 427.18134 198.2
[M+HCOO]- 489.18228 230.2
[M+CH3COO]- 503.19793 224.4
[M+Na-2H]- 465.15875 212.4
[M]+ 444.18353 205.5
[M]- 444.18463 205.5
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

No patent data available for this compound.