CID 388188

Nsc682756

Structural Information

Molecular Formula
C28H23Cl2NO4
SMILES
C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C28H23Cl2NO4/c29-19-9-5-17(6-10-19)25(33)22-15-27(13-14-28(22,35)18-7-11-20(30)12-8-18)16-24(32)31-23-4-2-1-3-21(23)26(27)34/h1-12,22,35H,13-16H2,(H,31,32)
InChIKey
VGJJUMQUBMBUNH-UHFFFAOYSA-N
Compound name
2'-(4-chlorobenzoyl)-1'-(4-chlorophenyl)-1'-hydroxyspiro[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

507.1004 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.10768 218.8
[M+Na]+ 530.08962 227.4
[M-H]- 506.09312 226.9
[M+NH4]+ 525.13422 228.5
[M+K]+ 546.06356 223.1
[M+H-H2O]+ 490.09766 208.8
[M+HCOO]- 552.09860 220.9
[M+CH3COO]- 566.11425 225.0
[M+Na-2H]- 528.07507 217.8
[M]+ 507.09985 214.2
[M]- 507.10095 214.2
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.