CID 361786

Nsc625053

Structural Information

Molecular Formula
C26H28N2O3
SMILES
CC12CC(CC(C1)(C)C(=O)NC3=CC4=CC5=CC=CC=C5C=C4C=C3)(C(=O)NC2O)C
InChI
InChI=1S/C26H28N2O3/c1-24(13-25(2)15-26(3,14-24)23(31)28-22(25)30)21(29)27-20-9-8-18-10-16-6-4-5-7-17(16)11-19(18)12-20/h4-12,22,30H,13-15H2,1-3H3,(H,27,29)(H,28,31)
InChIKey
UCAIIDSEJYRYBB-UHFFFAOYSA-N
Compound name
N-anthracen-2-yl-2-hydroxy-1,5,7-trimethyl-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 201.2
[M+Na]+ 439.19922 208.8
[M-H]- 415.20272 204.4
[M+NH4]+ 434.24382 217.6
[M+K]+ 455.17316 201.8
[M+H-H2O]+ 399.20726 190.3
[M+HCOO]- 461.20820 210.5
[M+CH3COO]- 475.22385 208.4
[M+Na-2H]- 437.18467 207.2
[M]+ 416.20945 198.3
[M]- 416.21055 198.3
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.