CID 4345423

(2-aminobenzyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C25H23NP
SMILES
C1=CC=C(C=C1)[P+](CC2=CC=CC=C2N)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H23NP/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24/h1-19H,20,26H2/q+1
InChIKey
ZWVVKPCCLZHUDJ-UHFFFAOYSA-N
Compound name
(2-aminophenyl)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

110
Patents

368.1568 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16408 197.1
[M+Na]+ 391.14602 200.4
[M-H]- 367.14952 206.9
[M+NH4]+ 386.19062 207.2
[M+K]+ 407.11996 187.6
[M+H-H2O]+ 351.15406 186.4
[M+HCOO]- 413.15500 222.7
[M+CH3COO]- 427.17065 213.2
[M+Na-2H]- 389.13147 200.7
[M]+ 368.15625 191.8
[M]- 368.15735 191.8
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