CID 393496

Nsc695561

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCN(CC1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O2/c25-22(26-16-15-23-13-7-2-8-14-23)21-17-18-9-5-6-12-20(18)24(21)19-10-3-1-4-11-19/h1,3-6,9-12,17H,2,7-8,13-16H2
InChIKey
WGRUGTNDQAGREM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1-phenylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.5
[M+Na]+ 371.17300 189.5
[M-H]- 347.17650 191.4
[M+NH4]+ 366.21760 196.6
[M+K]+ 387.14694 183.7
[M+H-H2O]+ 331.18104 173.4
[M+HCOO]- 393.18198 201.8
[M+CH3COO]- 407.19763 193.5
[M+Na-2H]- 369.15845 185.9
[M]+ 348.18323 183.2
[M]- 348.18433 183.2
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.