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]+ 335.11315 189.6
[M+Na]+ 357.09509 188.3
[M-H]- 333.09859 189.2
[M+NH4]+ 352.13969 179.9
[M+K]+ 373.06903 174.0
[M+H-H2O]+ 317.10313 158.8
[M+HCOO]- 379.10407 201.9
[M+CH3COO]- 393.11972 185.8
[M+Na-2H]- 355.08054 172.7
[M]+ 334.10532 174.6
[M]- 334.10642 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