CID 365924

Nsc634068

Structural Information

Molecular Formula
C12H22N2P2S
SMILES
CN(C)P(=S)(CCPC1=CC=CC=C1)N(C)C
InChI
InChI=1S/C12H22N2P2S/c1-13(2)16(17,14(3)4)11-10-15-12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3
InChIKey
PPQCTCXRUWELDO-UHFFFAOYSA-N
Compound name
N-[dimethylamino(2-phenylphosphanylethyl)phosphinothioyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.0979 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10518 166.1
[M+Na]+ 311.08712 170.3
[M-H]- 287.09062 169.6
[M+NH4]+ 306.13172 183.9
[M+K]+ 327.06106 168.9
[M+H-H2O]+ 271.09516 153.7
[M+HCOO]- 333.09610 196.6
[M+CH3COO]- 347.11175 214.5
[M+Na-2H]- 309.07257 162.7
[M]+ 288.09735 171.2
[M]- 288.09845 171.2
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.