CID 78409806

Ns00047084

Structural Information

Molecular Formula
C24H30N2O3
SMILES
C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)OC(=O)C=CC5=CC=CC=C5
InChI
InChI=1S/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2
InChIKey
PUFYZCKVLOYPHL-UHFFFAOYSA-N
Compound name
(14-oxo-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-4-yl) 3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.22565 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 194.7
[M+Na]+ 417.214868 195.2
[M-H]- 393.218374 195.8
[M+NH4]+ 412.259473 205.0
[M+K]+ 433.188808 188.9
[M+H-H2O]+ 377.222910 182.6
[M+HCOO]- 439.223851 198.2
[M+CH3COO]- 453.239501 199.2
[M+Na-2H]- 415.200316 194.1
[M]+ 394.22510142 185.4
[M]- 394.22619858 185.4
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

No patent data available for this compound.