CID 5748077

Brn 4199731

Structural Information

Molecular Formula
C20H23NO3
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)/C=C(/C4=CC=CC=C4)\O
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/h1-5,9,13-15,22H,6-8,10-12H2,(H,21,24)/b17-9-
InChIKey
GRCGALLUQWVLOK-MFOYZWKCSA-N
Compound name
(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 174.2
[M+Na]+ 348.15702 172.6
[M-H]- 324.16052 169.9
[M+NH4]+ 343.20162 193.0
[M+K]+ 364.13096 168.6
[M+H-H2O]+ 308.16506 166.6
[M+HCOO]- 370.16600 177.6
[M+CH3COO]- 384.18165 179.5
[M+Na-2H]- 346.14247 181.3
[M]+ 325.16725 171.6
[M]- 325.16835 171.6
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.