CID 360360

Nsc622418

Structural Information

Molecular Formula
C24H25NO3
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C(=O)CC(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C24H25NO3/c26-21(20-7-3-5-16-4-1-2-6-19(16)20)13-22(27)24(28)25-23-17-9-14-8-15(11-17)12-18(23)10-14/h1-7,14-15,17-18,23H,8-13H2,(H,25,28)
InChIKey
CBFVPSOIFIOFDS-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)-4-naphthalen-1-yl-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.18344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.19072 180.8
[M+Na]+ 398.17266 178.4
[M-H]- 374.17616 178.2
[M+NH4]+ 393.21726 196.7
[M+K]+ 414.14660 174.3
[M+H-H2O]+ 358.18070 171.5
[M+HCOO]- 420.18164 183.5
[M+CH3COO]- 434.19729 185.4
[M+Na-2H]- 396.15811 186.7
[M]+ 375.18289 179.5
[M]- 375.18399 179.5
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.