CID 3060298

1h-indole-2-carboxylic acid, 3-methoxy-1-(3-(1-piperidinyl)propyl)-, methyl ester, (z)-2-butenedioate

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]+ 331.201616 180.3
[M+Na]+ 353.183558 186.3
[M-H]- 329.187064 184.5
[M+NH4]+ 348.228163 194.2
[M+K]+ 369.157498 182.5
[M+H-H2O]+ 313.191600 170.8
[M+HCOO]- 375.192541 197.7
[M+CH3COO]- 389.208191 209.4
[M+Na-2H]- 351.169006 180.6
[M]+ 330.19379142 182.7
[M]- 330.19488858 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