CID 366974

Nsc636136

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C20H23NO3/c22-17(16-4-2-1-3-5-16)9-18(23)19(24)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,13-15H,6-12H2,(H,21,24)
InChIKey
MOBFLLZDKCFCSW-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-2,4-dioxo-4-phenylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 174.0
[M+Na]+ 348.15702 172.6
[M-H]- 324.16052 170.9
[M+NH4]+ 343.20162 193.3
[M+K]+ 364.13096 169.2
[M+H-H2O]+ 308.16506 165.8
[M+HCOO]- 370.16600 178.8
[M+CH3COO]- 384.18165 179.8
[M+Na-2H]- 346.14247 181.3
[M]+ 325.16725 172.9
[M]- 325.16835 172.9
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

No patent data available for this compound.