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 180.2
[M+Na]+ 336.17257 186.4
[M-H]- 312.17607 185.9
[M+NH4]+ 331.21717 194.2
[M+K]+ 352.14651 176.0
[M+H-H2O]+ 296.18061 170.1
[M+HCOO]- 358.18155 201.7
[M+CH3COO]- 372.19720 203.6
[M+Na-2H]- 334.15802 181.1
[M]+ 313.18280 176.4
[M]- 313.18390 176.4
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.