CID 3060298

1-(gamma-n-piperidinopropyl)-2-methoxycarbonyl-3-methoxy-indol-maleinat [german]

Structural Information

Molecular Formula
C19H26N2O3
SMILES
COC1=C(N(C2=CC=CC=C21)CCCN3CCCCC3)C(=O)OC
InChI
InChI=1S/C19H26N2O3/c1-23-18-15-9-4-5-10-16(15)21(17(18)19(22)24-2)14-8-13-20-11-6-3-7-12-20/h4-5,9-10H,3,6-8,11-14H2,1-2H3
InChIKey
HCZZGZLYXXIADM-UHFFFAOYSA-N
Compound name
methyl 3-methoxy-1-(3-piperidin-1-ylpropyl)indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

330.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20162 180.3
[M+Na]+ 353.18356 186.3
[M-H]- 329.18706 184.5
[M+NH4]+ 348.22816 194.2
[M+K]+ 369.15750 182.5
[M+H-H2O]+ 313.19160 170.8
[M+HCOO]- 375.19254 197.7
[M+CH3COO]- 389.20819 209.4
[M+Na-2H]- 351.16901 180.6
[M]+ 330.19379 182.7
[M]- 330.19489 182.7
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