CID 393490

Chembl5182427

Structural Information

Molecular Formula
C23H26N2O2
SMILES
C1CCN(CC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C23H26N2O2/c26-23(27-16-15-24-13-7-2-8-14-24)22-17-20-11-5-6-12-21(20)25(22)18-19-9-3-1-4-10-19/h1,3-6,9-12,17H,2,7-8,13-16,18H2
InChIKey
UCVXFKDUGJBZCH-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 1-benzylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.19943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 188.9
[M+Na]+ 385.18865 193.5
[M-H]- 361.19215 195.6
[M+NH4]+ 380.23325 200.4
[M+K]+ 401.16259 187.5
[M+H-H2O]+ 345.19669 177.6
[M+HCOO]- 407.19763 205.9
[M+CH3COO]- 421.21328 197.5
[M+Na-2H]- 383.17410 189.8
[M]+ 362.19888 187.9
[M]- 362.19998 187.9
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.