CID 25244595

Schembl17731777

Structural Information

Molecular Formula
C16H32N2O4
SMILES
CCCCCCCNC(=O)CCNC(=O)C(C(C)(C)CO)O
InChI
InChI=1S/C16H32N2O4/c1-4-5-6-7-8-10-17-13(20)9-11-18-15(22)14(21)16(2,3)12-19/h14,19,21H,4-12H2,1-3H3,(H,17,20)(H,18,22)
InChIKey
HHAVGBXLGVYXFF-UHFFFAOYSA-N
Compound name
N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11
Patents

316.2362 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24348 180.2
[M+Na]+ 339.22542 182.8
[M+NH4]+ 334.27002 182.6
[M+K]+ 355.19936 180.7
[M-H]- 315.22892 175.8
[M+Na-2H]- 337.21087 177.6
[M]+ 316.23565 178.5
[M]- 316.23675 178.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe