CID 164519613

Schembl26624516

Structural Information

Molecular Formula
C19H37NO6
SMILES
CC(C)CCCCCCCCCCC(C(C(C(=O)NCC(=O)O)O)O)O
InChI
InChI=1S/C19H37NO6/c1-14(2)11-9-7-5-3-4-6-8-10-12-15(21)17(24)18(25)19(26)20-13-16(22)23/h14-15,17-18,21,24-25H,3-13H2,1-2H3,(H,20,26)(H,22,23)
InChIKey
JUYVPLSBMNUATE-UHFFFAOYSA-N
Compound name
2-[(2,3,4-trihydroxy-15-methylhexadecanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

375.2621 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.26938 198.3
[M+Na]+ 398.25132 196.3
[M-H]- 374.25482 190.7
[M+NH4]+ 393.29592 201.7
[M+K]+ 414.22526 194.9
[M+H-H2O]+ 358.25936 191.3
[M+HCOO]- 420.26030 195.9
[M+CH3COO]- 434.27595 216.4
[M+Na-2H]- 396.23677 189.5
[M]+ 375.26155 199.2
[M]- 375.26265 199.2
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