CID 5468018

Nsc662433

Structural Information

Molecular Formula
C26H28N2O3
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)/C=C(/C4=CC=CC=C4)\NC5=CC=CC=C5O
InChI
InChI=1S/C26H28N2O3/c29-23-9-5-4-8-21(23)27-22(20-6-2-1-3-7-20)13-24(30)25(31)28-26-14-17-10-18(15-26)12-19(11-17)16-26/h1-9,13,17-19,27,29H,10-12,14-16H2,(H,28,31)/b22-13-
InChIKey
MHDXCSDIZXPUNR-XKZIYDEJSA-N
Compound name
(Z)-N-(1-adamantyl)-4-(2-hydroxyanilino)-2-oxo-4-phenylbut-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.21 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 190.5
[M+Na]+ 439.19922 187.3
[M-H]- 415.20272 188.6
[M+NH4]+ 434.24382 204.8
[M+K]+ 455.17316 182.7
[M+H-H2O]+ 399.20726 180.6
[M+HCOO]- 461.20820 194.2
[M+CH3COO]- 475.22385 194.1
[M+Na-2H]- 437.18467 197.5
[M]+ 416.20945 187.1
[M]- 416.21055 187.1
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.