CID 3071420

Proban tpu-210

Structural Information

Molecular Formula
C9H24N2O7P2
SMILES
C(NC(=O)NC[P+](CO)(CO)CO)[P+](CO)(CO)CO
InChI
InChI=1S/C9H23N2O7P2/c12-3-19(4-13,5-14)1-10-9(18)11-2-20(6-15,7-16)8-17/h12-17H,1-8H2,(H-,10,11,18)/q+1/p+1
InChIKey
GFBDYLUWSMRLAC-UHFFFAOYSA-O
Compound name
tris(hydroxymethyl)-[[tris(hydroxymethyl)phosphaniumylmethylcarbamoylamino]methyl]phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

334.10587 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.113146 189.6
[M+Na]+ 357.095088 188.3
[M-H]- 333.098594 189.2
[M+NH4]+ 352.139693 179.9
[M+K]+ 373.069028 174.0
[M+H-H2O]+ 317.103130 158.8
[M+HCOO]- 379.104071 201.9
[M+CH3COO]- 393.119721 185.8
[M+Na-2H]- 355.080536 172.7
[M]+ 334.10532142 174.6
[M]- 334.10641858 174.6
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

patents stripe