CID 170556

Dipalmitoyl hydroxyproline

Structural Information

Molecular Formula
C37H69NO5
SMILES
CCCCCCCCCCCCCCCC(=O)N1C[C@@H](C[C@H]1C(=O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C37H69NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(39)38-32-33(31-34(38)37(41)42)43-36(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3,(H,41,42)/t33-,34+/m1/s1
InChIKey
QZLXCFQVOCEKSX-NOCHOARKSA-N
Compound name
(2S,4R)-1-hexadecanoyl-4-hexadecanoyloxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1287
Patents

607.5176 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 608.52488 257.3
[M+Na]+ 630.50682 266.2
[M-H]- 606.51032 245.8
[M+NH4]+ 625.55142 261.2
[M+K]+ 646.48076 264.3
[M+H-H2O]+ 590.51486 259.1
[M+HCOO]- 652.51580 264.6
[M+CH3COO]- 666.53145 264.7
[M+Na-2H]- 628.49227 241.3
[M]+ 607.51705 257.2
[M]- 607.51815 257.2
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

patents stripe