CID 56842376

68925-38-2

Structural Information

Molecular Formula
C27H44N4O4
SMILES
C1CCC(=O)N(CC1)C(=O)NC2CCC(CC2)CC3CCC(CC3)NC(=O)N4CCCCCC4=O
InChI
InChI=1S/C27H44N4O4/c32-24-7-3-1-5-17-30(24)26(34)28-22-13-9-20(10-14-22)19-21-11-15-23(16-12-21)29-27(35)31-18-6-2-4-8-25(31)33/h20-23H,1-19H2,(H,28,34)(H,29,35)
InChIKey
PBNLUXBQGFTHPR-UHFFFAOYSA-N
Compound name
2-oxo-N-[4-[[4-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

488.33624 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.34352 227.0
[M+Na]+ 511.32546 227.2
[M+NH4]+ 506.37006 228.7
[M+K]+ 527.29940 224.6
[M-H]- 487.32896 229.3
[M+Na-2H]- 509.31091 225.9
[M]+ 488.33569 227.0
[M]- 488.33679 227.0
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