CID 171040051

Dtxsid901021816

Structural Information

Molecular Formula
C25H48N2O4
SMILES
CC(C)CCCCCCCCCCCCCCCN(C(CCC(=O)N)C(=O)O)C(=O)C
InChI
InChI=1S/C25H48N2O4/c1-21(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-20-27(22(3)28)23(25(30)31)18-19-24(26)29/h21,23H,4-20H2,1-3H3,(H2,26,29)(H,30,31)
InChIKey
BMROJHRWMNLJDM-UHFFFAOYSA-N
Compound name
2-[acetyl(16-methylheptadecyl)amino]-5-amino-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.36142 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.36870 221.8
[M+Na]+ 463.35064 233.4
[M-H]- 439.35414 220.6
[M+NH4]+ 458.39524 227.6
[M+K]+ 479.32458 229.7
[M+H-H2O]+ 423.35868 213.8
[M+HCOO]- 485.35962 218.3
[M+CH3COO]- 499.37527 242.6
[M+Na-2H]- 461.33609 212.5
[M]+ 440.36087 217.4
[M]- 440.36197 217.4
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.