CID 52924957

Pe(o-16:0/13:0)

Structural Information

Molecular Formula
C34H70NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C34H70NO7P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-29-39-31-33(32-41-43(37,38)40-30-28-35)42-34(36)27-25-23-21-19-14-12-10-8-6-4-2/h33H,3-32,35H2,1-2H3,(H,37,38)/t33-/m1/s1
InChIKey
NDIULWDDKANRGE-MGBGTMOVSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

635.489 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 636.49628 260.7
[M+Na]+ 658.47822 263.3
[M-H]- 634.48172 250.0
[M+NH4]+ 653.52282 262.2
[M+K]+ 674.45216 262.9
[M+H-H2O]+ 618.48626 250.4
[M+HCOO]- 680.48720 263.7
[M+CH3COO]- 694.50285 271.0
[M+Na-2H]- 656.46367 240.5
[M]+ 635.48845 256.3
[M]- 635.48955 256.3
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.