CID 51340376

1301706-37-5

Structural Information

Molecular Formula
C27H52N2O5
SMILES
CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C27H52N2O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(30)28-22-19-18-20-23(25(31)32)29-26(33)34-27(2,3)4/h23H,5-22H2,1-4H3,(H,28,30)(H,29,33)(H,31,32)/t23-/m1/s1
InChIKey
BKRDALPPYAJHPI-HSZRJFAPSA-N
Compound name
(2R)-6-(hexadecanoylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.38763 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.39491 232.2
[M+Na]+ 507.37685 241.0
[M-H]- 483.38035 230.7
[M+NH4]+ 502.42145 235.8
[M+K]+ 523.35079 238.3
[M+H-H2O]+ 467.38489 230.0
[M+HCOO]- 529.38583 232.8
[M+CH3COO]- 543.40148 245.3
[M+Na-2H]- 505.36230 220.0
[M]+ 484.38708 228.4
[M]- 484.38818 228.4
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.