CID 99396

Phosphine sulfide, tris(dibutylaminomethyl)-

Structural Information

Molecular Formula
C27H60N3PS
SMILES
CCCCN(CCCC)CP(=S)(CN(CCCC)CCCC)CN(CCCC)CCCC
InChI
InChI=1S/C27H60N3PS/c1-7-13-19-28(20-14-8-2)25-31(32,26-29(21-15-9-3)22-16-10-4)27-30(23-17-11-5)24-18-12-6/h7-27H2,1-6H3
InChIKey
NUGFFXGZVJAXIW-UHFFFAOYSA-N
Compound name
N-[bis[(dibutylamino)methyl]phosphinothioylmethyl]-N-butylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.42456 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.43184 257.4
[M+Na]+ 512.41378 268.4
[M-H]- 488.41728 248.3
[M+NH4]+ 507.45838 262.1
[M+K]+ 528.38772 266.1
[M+H-H2O]+ 472.42182 224.8
[M+HCOO]- 534.42276 261.4
[M+CH3COO]- 548.43841 264.4
[M+Na-2H]- 510.39923 227.4
[M]+ 489.42401 254.5
[M]- 489.42511 254.5
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.