CID 6477015

Nsc371159

Structural Information

Molecular Formula
C27H25NO
SMILES
C1C/C(=C/C2=CC=CC=C2)/C(=O)C3(C1)C(N3CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H25NO/c29-26-24(19-21-11-4-1-5-12-21)17-10-18-27(26)25(23-15-8-3-9-16-23)28(27)20-22-13-6-2-7-14-22/h1-9,11-16,19,25H,10,17-18,20H2/b24-19-
InChIKey
KHURGIKVMGDILD-CLCOLTQESA-N
Compound name
(5Z)-1-benzyl-5-benzylidene-2-phenyl-1-azaspiro[2.5]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1936 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20088 195.2
[M+Na]+ 402.18282 202.1
[M-H]- 378.18632 207.2
[M+NH4]+ 397.22742 202.2
[M+K]+ 418.15676 195.3
[M+H-H2O]+ 362.19086 183.6
[M+HCOO]- 424.19180 213.0
[M+CH3COO]- 438.20745 203.5
[M+Na-2H]- 400.16827 197.1
[M]+ 379.19305 192.2
[M]- 379.19415 192.2
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.