CID 3070064

85684-47-5

Structural Information

Molecular Formula
C19H26N2P
SMILES
CC1=CC=C(C=C1)N2CN(C[P+](C2)(C)C)C3=CC=C(C=C3)C
InChI
InChI=1S/C19H26N2P/c1-16-5-9-18(10-6-16)20-13-21(15-22(3,4)14-20)19-11-7-17(2)8-12-19/h5-12H,13-15H2,1-4H3/q+1
InChIKey
LTLWCVRRXWAEHS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,3-bis(4-methylphenyl)-1,3,5-diazaphosphinan-5-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.18335 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19063 175.5
[M+Na]+ 336.17257 193.1
[M+NH4]+ 331.21717 186.8
[M+K]+ 352.14651 182.6
[M-H]- 312.17607 183.7
[M+Na-2H]- 334.15802 187.3
[M]+ 313.18280 181.0
[M]- 313.18390 181.0
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.