CID 115639

63992-13-2

Structural Information

Molecular Formula
C23H28N2O2
SMILES
C1COCCN1CCCC(=O)NC2C(CC3=CC=CC=C23)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O2/c26-22(11-6-12-25-13-15-27-16-14-25)24-23-20-10-5-4-9-19(20)17-21(23)18-7-2-1-3-8-18/h1-5,7-10,21,23H,6,11-17H2,(H,24,26)
InChIKey
SMRGKYMIPDMJOE-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 188.9
[M+Na]+ 387.204318 190.9
[M-H]- 363.207824 196.8
[M+NH4]+ 382.248923 200.0
[M+K]+ 403.178258 186.4
[M+H-H2O]+ 347.212360 178.7
[M+HCOO]- 409.213301 204.6
[M+CH3COO]- 423.228951 196.9
[M+Na-2H]- 385.189766 189.2
[M]+ 364.21455142 184.7
[M]- 364.21564858 184.7
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.