CID 388187

Nsc682755

Structural Information

Molecular Formula
C28H25NO4
SMILES
C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C28H25NO4/c30-24-18-27(26(32)21-13-7-8-14-23(21)29-24)15-16-28(33,20-11-5-2-6-12-20)22(17-27)25(31)19-9-3-1-4-10-19/h1-14,22,33H,15-18H2,(H,29,30)
InChIKey
UUFJIGUPTRGAKK-UHFFFAOYSA-N
Compound name
2'-benzoyl-1'-hydroxy-1'-phenylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.17834 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18562 212.2
[M+Na]+ 462.16756 216.4
[M-H]- 438.17106 220.6
[M+NH4]+ 457.21216 221.9
[M+K]+ 478.14150 213.3
[M+H-H2O]+ 422.17560 201.7
[M+HCOO]- 484.17654 222.3
[M+CH3COO]- 498.19219 218.1
[M+Na-2H]- 460.15301 212.5
[M]+ 439.17779 202.4
[M]- 439.17889 202.4
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.