CID 380233

Nsc665710

Structural Information

Molecular Formula
C34H37N3O2
SMILES
CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3C(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C34H37N3O2/c1-2-32(38)34(26-12-5-3-6-13-26,27-14-7-4-8-15-27)21-25-36-23-19-28(20-24-36)37-31-18-10-9-16-29(31)30(33(37)39)17-11-22-35/h3-10,12-16,18,28,30H,2,11,17,19-21,23-25H2,1H3
InChIKey
APTBROYJIPBUOM-UHFFFAOYSA-N
Compound name
3-[2-oxo-1-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]-3H-indol-3-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.2886 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.29588 235.2
[M+Na]+ 542.27782 239.6
[M-H]- 518.28132 240.2
[M+NH4]+ 537.32242 238.4
[M+K]+ 558.25176 227.1
[M+H-H2O]+ 502.28586 215.8
[M+HCOO]- 564.28680 241.9
[M+CH3COO]- 578.30245 237.6
[M+Na-2H]- 540.26327 229.6
[M]+ 519.28805 226.2
[M]- 519.28915 226.2
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.