CID 375452

Nsc655184

Structural Information

Molecular Formula
C17H24N2O4P2
SMILES
C1=CC=C(C=C1)P(=O)(C(CCCC(N)P(=O)(C2=CC=CC=C2)O)N)O
InChI
InChI=1S/C17H24N2O4P2/c18-16(24(20,21)14-8-3-1-4-9-14)12-7-13-17(19)25(22,23)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13,18-19H2,(H,20,21)(H,22,23)
InChIKey
MORAYAMPBZMRCK-UHFFFAOYSA-N
Compound name
[1,5-diamino-5-[hydroxy(phenyl)phosphoryl]pentyl]-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.12112 Da
Monoisotopic Mass

-4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.12840 193.8
[M+Na]+ 405.11034 194.8
[M-H]- 381.11384 193.3
[M+NH4]+ 400.15494 202.7
[M+K]+ 421.08428 191.8
[M+H-H2O]+ 365.11838 181.2
[M+HCOO]- 427.11932 220.4
[M+CH3COO]- 441.13497 218.7
[M+Na-2H]- 403.09579 190.8
[M]+ 382.12057 190.2
[M]- 382.12167 190.2
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.