CID 381187

Nsc667518

Structural Information

Molecular Formula
C25H21NO3
SMILES
C1C(C2C(C1(C3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4C2=O)C5=CC=CC=C5
InChI
InChI=1S/C25H21NO3/c27-23-18-13-7-8-14-20(18)26-24(28)22-21(23)19(16-9-3-1-4-10-16)15-25(22,29)17-11-5-2-6-12-17/h1-14,19,21-22,29H,15H2,(H,26,28)
InChIKey
UZEGZIRZTKQDJC-UHFFFAOYSA-N
Compound name
3-hydroxy-1,3-diphenyl-2,3a,5,10a-tetrahydro-1H-cyclopenta[c][1]benzazepine-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15213 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 197.1
[M+Na]+ 406.14135 204.0
[M-H]- 382.14485 206.0
[M+NH4]+ 401.18595 210.6
[M+K]+ 422.11529 199.4
[M+H-H2O]+ 366.14939 189.2
[M+HCOO]- 428.15033 211.1
[M+CH3COO]- 442.16598 205.5
[M+Na-2H]- 404.12680 197.5
[M]+ 383.15158 190.5
[M]- 383.15268 190.5
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.