CID 93821

57843-53-5

Structural Information

Molecular Formula
C18H36N2O6
SMILES
CC(CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O)O
InChI
InChI=1S/C18H36N2O6/c1-13(21)9-19(10-14(2)22)17(25)7-5-6-8-18(26)20(11-15(3)23)12-16(4)24/h13-16,21-24H,5-12H2,1-4H3
InChIKey
UUCAVBDCVCFNIN-UHFFFAOYSA-N
Compound name
N,N,N',N'-tetrakis(2-hydroxypropyl)hexanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1115
Patents

376.25732 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.26460 197.3
[M+Na]+ 399.24654 214.6
[M-H]- 375.25004 208.7
[M+NH4]+ 394.29114 211.1
[M+K]+ 415.22048 197.3
[M+H-H2O]+ 359.25458 190.1
[M+HCOO]- 421.25552 195.8
[M+CH3COO]- 435.27117 224.7
[M+Na-2H]- 397.23199 188.1
[M]+ 376.25677 199.2
[M]- 376.25787 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