CID 382155

Nsc669602

Structural Information

Molecular Formula
C33H27NO3
SMILES
CCOC(=O)C1=C(C12C(C(=O)N2CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C33H27NO3/c1-2-37-30(35)29-28(25-17-9-4-10-18-25)33(29)32(26-19-11-5-12-20-26,27-21-13-6-14-22-27)31(36)34(33)23-24-15-7-3-8-16-24/h3-22H,2,23H2,1H3
InChIKey
GZJNYEUKGUHGKM-UHFFFAOYSA-N
Compound name
ethyl 4-benzyl-5-oxo-1,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.1991 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.20638 219.5
[M+Na]+ 508.18832 227.0
[M-H]- 484.19182 234.2
[M+NH4]+ 503.23292 218.3
[M+K]+ 524.16226 224.9
[M+H-H2O]+ 468.19636 202.7
[M+HCOO]- 530.19730 237.7
[M+CH3COO]- 544.21295 226.8
[M+Na-2H]- 506.17377 220.7
[M]+ 485.19855 231.3
[M]- 485.19965 231.3
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.