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
2
Annotation Hits

0
References

27
Patents

346.2104 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.217676 182.6
[M+Na]+ 369.199618 181.3
[M-H]- 345.203124 181.2
[M+NH4]+ 364.244223 192.9
[M+K]+ 385.173558 181.4
[M+H-H2O]+ 329.207660 175.0
[M+HCOO]- 391.208601 197.1
[M+CH3COO]- 405.224251 213.4
[M+Na-2H]- 367.185066 178.9
[M]+ 346.20985142 180.4
[M]- 346.21094858 180.4
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

patents stripe