CID 9574681

Diazaphosphabicyclooctanol, bz c-pr deriv.

Structural Information

Molecular Formula
C26H33N2O3P
SMILES
C1CC1CN2[C@@H]([C@@H]([C@H]3[C@H](N([P@@]2(=O)O3)CC4CC4)CC5=CC=CC=C5)O)CC6=CC=CC=C6
InChI
InChI=1S/C26H33N2O3P/c29-25-23(15-19-7-3-1-4-8-19)27(17-21-11-12-21)32(30)28(18-22-13-14-22)24(26(25)31-32)16-20-9-5-2-6-10-20/h1-10,21-26,29H,11-18H2/t23-,24-,25+,26-,32+/m1/s1
InChIKey
OSJSGFNOWWITLN-WIVXHGQKSA-N
Compound name
(1S,3R,4S,5R,6R)-3,6-dibenzyl-2,7-bis(cyclopropylmethyl)-1-oxo-8-oxa-2,7-diaza-1lambda5-phosphabicyclo[3.2.1]octan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.22287 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23015 210.5
[M+Na]+ 475.21209 215.1
[M-H]- 451.21559 218.5
[M+NH4]+ 470.25669 209.8
[M+K]+ 491.18603 212.0
[M+H-H2O]+ 435.22013 200.6
[M+HCOO]- 497.22107 223.9
[M+CH3COO]- 511.23672 215.0
[M+Na-2H]- 473.19754 204.2
[M]+ 452.22232 213.3
[M]- 452.22342 213.3
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.