CID 58434361

Schembl1367246

Structural Information

Molecular Formula
C16H30N2O6
SMILES
C1CC(CCC1C(=O)N(CCO)CCO)C(=O)N(CCO)CCO
InChI
InChI=1S/C16H30N2O6/c19-9-5-17(6-10-20)15(23)13-1-2-14(4-3-13)16(24)18(7-11-21)8-12-22/h13-14,19-22H,1-12H2
InChIKey
RRAOOBQCQCDRKP-UHFFFAOYSA-N
Compound name
1-N,1-N,4-N,4-N-tetrakis(2-hydroxyethyl)cyclohexane-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

346.2104 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21768 182.5
[M+Na]+ 369.19962 184.7
[M+NH4]+ 364.24422 184.9
[M+K]+ 385.17356 183.7
[M-H]- 345.20312 179.9
[M+Na-2H]- 367.18507 180.4
[M]+ 346.20985 181.0
[M]- 346.21095 181.0
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