CID 200994

Brn 2705370

Structural Information

Molecular Formula
C10H18N3O3PS2
SMILES
CNP(=S)(NC)OC1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H18N3O3PS2/c1-11-17(18,12-2)16-9-5-7-10(8-6-9)19(14,15)13(3)4/h5-8H,1-4H3,(H2,11,12,18)
InChIKey
TVDWMDCBVUIJAD-UHFFFAOYSA-N
Compound name
4-[bis(methylamino)phosphinothioyloxy]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.05273 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06001 165.6
[M+Na]+ 346.04195 170.5
[M-H]- 322.04545 168.5
[M+NH4]+ 341.08655 180.1
[M+K]+ 362.01589 167.2
[M+H-H2O]+ 306.04999 155.3
[M+HCOO]- 368.05093 185.4
[M+CH3COO]- 382.06658 213.2
[M+Na-2H]- 344.02740 167.8
[M]+ 323.05218 169.1
[M]- 323.05328 169.1
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.