CID 393494

Nsc695560

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1CCN(C1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c24-21(25-15-14-22-12-6-7-13-22)20-16-17-8-4-5-11-19(17)23(20)18-9-2-1-3-10-18/h1-5,8-11,16H,6-7,12-15H2
InChIKey
OSUTTXASQJJHIJ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 1-phenylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 180.1
[M+Na]+ 357.15734 186.6
[M-H]- 333.16084 188.2
[M+NH4]+ 352.20194 195.0
[M+K]+ 373.13128 181.4
[M+H-H2O]+ 317.16538 170.4
[M+HCOO]- 379.16632 200.3
[M+CH3COO]- 393.18197 190.6
[M+Na-2H]- 355.14279 180.2
[M]+ 334.16757 181.1
[M]- 334.16867 181.1
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.