CID 2724137

(2-(dimethylamino)ethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C22H25NP
SMILES
CN(C)CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H25NP/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17H,18-19H2,1-2H3/q+1
InChIKey
BJBBSNKEOYUITM-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

493
Patents

334.17245 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17973 188.2
[M+Na]+ 357.16167 191.1
[M-H]- 333.16517 196.9
[M+NH4]+ 352.20627 201.2
[M+K]+ 373.13561 181.0
[M+H-H2O]+ 317.16971 178.5
[M+HCOO]- 379.17065 215.2
[M+CH3COO]- 393.18630 211.0
[M+Na-2H]- 355.14712 192.3
[M]+ 334.17190 186.9
[M]- 334.17300 186.9
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

patents stripe