CID 212893

25361-54-0

Structural Information

Molecular Formula
C20H19NOP
SMILES
C1=CC=C(C=C1)[P+](CC(=O)N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18NOP/c21-20(22)16-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H-,21,22)/p+1
InChIKey
JROPXGUIZWYIJQ-UHFFFAOYSA-O
Compound name
(2-amino-2-oxoethyl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

320.12042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12770 181.5
[M+Na]+ 343.10964 185.0
[M-H]- 319.11314 188.8
[M+NH4]+ 338.15424 194.0
[M+K]+ 359.08358 174.2
[M+H-H2O]+ 303.11768 172.6
[M+HCOO]- 365.11862 207.5
[M+CH3COO]- 379.13427 202.7
[M+Na-2H]- 341.09509 185.5
[M]+ 320.11987 177.3
[M]- 320.12097 177.3
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

patents stripe