CID 3056465

Nsc 220214

Structural Information

Molecular Formula
C21H32N2P
SMILES
CCCCN[P+](CC1=CC=CC=C1)(C2=CC=CC=C2)NCCCC
InChI
InChI=1S/C21H32N2P/c1-3-5-17-22-24(23-18-6-4-2,21-15-11-8-12-16-21)19-20-13-9-7-10-14-20/h7-16,22-23H,3-6,17-19H2,1-2H3/q+1
InChIKey
TVLLBZQMRYNAJM-UHFFFAOYSA-N
Compound name
benzyl-bis(butylamino)-phenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.23032 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23760 191.7
[M+Na]+ 366.21954 193.0
[M-H]- 342.22304 195.5
[M+NH4]+ 361.26414 204.1
[M+K]+ 382.19348 182.2
[M+H-H2O]+ 326.22758 182.9
[M+HCOO]- 388.22852 218.6
[M+CH3COO]- 402.24417 213.7
[M+Na-2H]- 364.20499 195.7
[M]+ 343.22977 191.1
[M]- 343.23087 191.1
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.