CID 393488

Nsc695557

Structural Information

Molecular Formula
C22H24N2O2
SMILES
C1CCN(C1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C22H24N2O2/c25-22(26-15-14-23-12-6-7-13-23)21-16-19-10-4-5-11-20(19)24(21)17-18-8-2-1-3-9-18/h1-5,8-11,16H,6-7,12-15,17H2
InChIKey
MOYKHFNJRPQYQZ-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 1-benzylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 184.7
[M+Na]+ 371.17300 190.6
[M-H]- 347.17650 192.5
[M+NH4]+ 366.21760 198.9
[M+K]+ 387.14694 185.2
[M+H-H2O]+ 331.18104 174.7
[M+HCOO]- 393.18198 204.4
[M+CH3COO]- 407.19763 194.6
[M+Na-2H]- 369.15845 184.1
[M]+ 348.18323 185.9
[M]- 348.18433 185.9
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.