CID 114103

63717-19-1

Structural Information

Molecular Formula
C13H32N4O4P2S
SMILES
CCCNP(=O)(NCCC)NCCSP(=O)(N1CCOCC1)OC
InChI
InChI=1S/C13H32N4O4P2S/c1-4-6-14-22(18,15-7-5-2)16-8-13-24-23(19,20-3)17-9-11-21-12-10-17/h4-13H2,1-3H3,(H3,14,15,16,18)
InChIKey
VZBYWKDRWCZNOW-UHFFFAOYSA-N
Compound name
N-[[2-[methoxy(morpholin-4-yl)phosphoryl]sulfanylethylamino]-(propylamino)phosphoryl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.16196 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.16924 191.8
[M+Na]+ 425.15118 190.6
[M-H]- 401.15468 189.7
[M+NH4]+ 420.19578 199.9
[M+K]+ 441.12512 190.1
[M+H-H2O]+ 385.15922 178.1
[M+HCOO]- 447.16016 215.2
[M+CH3COO]- 461.17581 227.8
[M+Na-2H]- 423.13663 191.6
[M]+ 402.16141 194.1
[M]- 402.16251 194.1
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.