CID 14001

Brn 0633766

Structural Information

Molecular Formula
C29H30N4O
SMILES
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H30N4O/c30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26/h1-15H,16-21,23H2,(H,31,34)
InChIKey
OLKPMRDEHKCJON-UHFFFAOYSA-N
Compound name
4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

450.24197 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.24925 216.6
[M+Na]+ 473.23119 229.3
[M+NH4]+ 468.27579 221.1
[M+K]+ 489.20513 216.8
[M-H]- 449.23469 215.5
[M+Na-2H]- 471.21664 223.7
[M]+ 450.24142 217.5
[M]- 450.24252 217.5
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

patents stripe