CID 118717

34690-00-1

Structural Information

Molecular Formula
C17H44N3O15P5
SMILES
C(CCCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CCCCCCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
InChI
InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)
InChIKey
YWMWZKYVGNWJPU-UHFFFAOYSA-N
Compound name
[bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

685.14606 Da
Monoisotopic Mass

-12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 686.15334 231.2
[M+Na]+ 708.13528 235.3
[M+NH4]+ 703.17988 240.6
[M+K]+ 724.10922 243.6
[M-H]- 684.13878 232.5
[M+Na-2H]- 706.12073 226.6
[M]+ 685.14551 235.0
[M]- 685.14661 235.0
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