CID 4361894

((4-methyl-benzoylamino)-methyl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C27H25NOP
SMILES
CC1=CC=C(C=C1)C(=O)NC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H24NOP/c1-22-17-19-23(20-18-22)27(29)28-21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-20H,21H2,1H3/p+1
InChIKey
LOSJHDSTNFVSIZ-UHFFFAOYSA-O
Compound name
[(4-methylbenzoyl)amino]methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1674 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.17468 208.0
[M+Na]+ 433.15662 210.1
[M-H]- 409.16012 218.0
[M+NH4]+ 428.20122 216.4
[M+K]+ 449.13056 198.0
[M+H-H2O]+ 393.16466 196.6
[M+HCOO]- 455.16560 232.8
[M+CH3COO]- 469.18125 220.7
[M+Na-2H]- 431.14207 210.6
[M]+ 410.16685 204.2
[M]- 410.16795 204.2
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.