CID 4061676

121561-25-9

Structural Information

Molecular Formula
C24H27NOP
SMILES
CC(C)(C)C(=O)NC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H26NOP/c1-24(2,3)23(26)25-19-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18H,19H2,1-3H3/p+1
InChIKey
WVCBJRFHIFETEQ-UHFFFAOYSA-O
Compound name
(2,2-dimethylpropanoylamino)methyl-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

376.183 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.19028 199.1
[M+Na]+ 399.17222 201.4
[M-H]- 375.17572 206.6
[M+NH4]+ 394.21682 209.8
[M+K]+ 415.14616 190.8
[M+H-H2O]+ 359.18026 189.8
[M+HCOO]- 421.18120 222.8
[M+CH3COO]- 435.19685 214.2
[M+Na-2H]- 397.15767 203.4
[M]+ 376.18245 196.6
[M]- 376.18355 196.6
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