CID 10393281

Beht triflate

Structural Information

Molecular Formula
C24H26N2O4P
SMILES
CCOC(=O)NN(C(=O)OCC)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H25N2O4P/c1-3-29-23(27)25-26(24(28)30-4-2)31(20-14-8-5-9-15-20,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19H,3-4H2,1-2H3/p+1
InChIKey
HGRQDYMSJRFJCE-UHFFFAOYSA-O
Compound name
[ethoxycarbonyl-(ethoxycarbonylamino)amino]-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.16302 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.17030 209.4
[M+Na]+ 460.15224 209.8
[M-H]- 436.15574 218.0
[M+NH4]+ 455.19684 217.3
[M+K]+ 476.12618 202.4
[M+H-H2O]+ 420.16028 198.6
[M+HCOO]- 482.16122 235.9
[M+CH3COO]- 496.17687 225.8
[M+Na-2H]- 458.13769 212.0
[M]+ 437.16247 210.1
[M]- 437.16357 210.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.