CID 22621443

36011-12-8

Structural Information

Molecular Formula
C18H36N2O4
SMILES
C(CCCNC(=O)CCCCCO)CCNC(=O)CCCCCO
InChI
InChI=1S/C18H36N2O4/c21-15-9-3-5-11-17(23)19-13-7-1-2-8-14-20-18(24)12-6-4-10-16-22/h21-22H,1-16H2,(H,19,23)(H,20,24)
InChIKey
VLSPLZWMDJVMRP-UHFFFAOYSA-N
Compound name
6-hydroxy-N-[6-(6-hydroxyhexanoylamino)hexyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

344.26752 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.274796 189.8
[M+Na]+ 367.256738 189.3
[M-H]- 343.260244 184.9
[M+NH4]+ 362.301343 200.9
[M+K]+ 383.230678 186.1
[M+H-H2O]+ 327.264780 181.9
[M+HCOO]- 389.265721 208.0
[M+CH3COO]- 403.281371 214.8
[M+Na-2H]- 365.242186 187.7
[M]+ 344.26697142 192.9
[M]- 344.26806858 192.9
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