CID 10507193

N-(15-methyl-3-(13-methyl-4z-tetradecenoyloxy)-hexadecanoyl)-glycine

Structural Information

Molecular Formula
C34H63NO5
SMILES
CC(C)CCCCCCCCCCC[C@H](CC(=O)NCC(=O)O)OC(=O)CC/C=C\CCCCCCCC(C)C
InChI
InChI=1S/C34H63NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h14,18,29-31H,5-13,15-17,19-28H2,1-4H3,(H,35,36)(H,37,38)/b18-14-/t31-/m1/s1
InChIKey
IZIYPDPHWIMFEM-OKHXBCELSA-N
Compound name
2-[[(3R)-15-methyl-3-[(Z)-13-methyltetradec-4-enoyl]oxyhexadecanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.47064 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.47792 249.9
[M+Na]+ 588.45986 258.4
[M-H]- 564.46336 244.8
[M+NH4]+ 583.50446 256.4
[M+K]+ 604.43380 259.0
[M+H-H2O]+ 548.46790 251.0
[M+HCOO]- 610.46884 244.9
[M+CH3COO]- 624.48449 260.9
[M+Na-2H]- 586.44531 236.7
[M]+ 565.47009 247.1
[M]- 565.47119 247.1
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.