CID 91960

Einecs 259-920-8

Structural Information

Molecular Formula
C24H40N4O4
SMILES
CC1(CC(CC(C1)(C)CNC(=O)N2CCCCCC2=O)NC(=O)N3CCCCCC3=O)C
InChI
InChI=1S/C24H40N4O4/c1-23(2)14-18(26-22(32)28-13-9-5-7-11-20(28)30)15-24(3,16-23)17-25-21(31)27-12-8-4-6-10-19(27)29/h18H,4-17H2,1-3H3,(H,25,31)(H,26,32)
InChIKey
OUXZKCYUOAUYIV-UHFFFAOYSA-N
Compound name
2-oxo-N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]azepane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

448.30496 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.31224 210.3
[M+Na]+ 471.29418 210.5
[M-H]- 447.29768 216.6
[M+NH4]+ 466.33878 217.5
[M+K]+ 487.26812 212.3
[M+H-H2O]+ 431.30222 199.8
[M+HCOO]- 493.30316 217.8
[M+CH3COO]- 507.31881 235.2
[M+Na-2H]- 469.27963 205.5
[M]+ 448.30441 197.9
[M]- 448.30551 197.9
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