CID 71433334

99065-22-2

Structural Information

Molecular Formula
C28H44NO2P
SMILES
C[C@H](C1CCCCC1)N([C@H](C)C2=CC=CC=C2)P3OC4CCCCC4C5CCCCC5O3
InChI
InChI=1S/C28H44NO2P/c1-21(23-13-5-3-6-14-23)29(22(2)24-15-7-4-8-16-24)32-30-27-19-11-9-17-25(27)26-18-10-12-20-28(26)31-32/h3,5-6,13-14,21-22,24-28H,4,7-12,15-20H2,1-2H3/t21-,22-,25?,26?,27?,28?,32?/m1/s1
InChIKey
TZWRUZQISSSTQT-WCLZDLNCSA-N
Compound name
N-[(1R)-1-cyclohexylethyl]-N-[(1R)-1-phenylethyl]-8,10-dioxa-9-phosphatricyclo[9.4.0.02,7]pentadecan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.31097 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.31825 212.8
[M+Na]+ 480.30019 206.6
[M-H]- 456.30369 220.8
[M+NH4]+ 475.34479 218.7
[M+K]+ 496.27413 208.4
[M+H-H2O]+ 440.30823 201.4
[M+HCOO]- 502.30917 221.2
[M+CH3COO]- 516.32482 215.8
[M+Na-2H]- 478.28564 204.4
[M]+ 457.31042 198.9
[M]- 457.31152 198.9
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.