CID 3015111

21716-65-4

Structural Information

Molecular Formula
C17H22ClN3O2
SMILES
CCN1CCCC1CNC(=O)C2=C(C3=C(N2)C=CC(=C3)Cl)OC
InChI
InChI=1S/C17H22ClN3O2/c1-3-21-8-4-5-12(21)10-19-17(22)15-16(23-2)13-9-11(18)6-7-14(13)20-15/h6-7,9,12,20H,3-5,8,10H2,1-2H3,(H,19,22)
InChIKey
TZUDDOUTRDMSIE-UHFFFAOYSA-N
Compound name
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methoxy-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.14005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.147326 180.2
[M+Na]+ 358.129268 188.4
[M-H]- 334.132774 184.3
[M+NH4]+ 353.173873 196.1
[M+K]+ 374.103208 182.2
[M+H-H2O]+ 318.137310 172.6
[M+HCOO]- 380.138251 195.3
[M+CH3COO]- 394.153901 208.6
[M+Na-2H]- 356.114716 178.8
[M]+ 335.13950142 182.9
[M]- 335.14059858 182.9
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

patents stripe