CID 206881

28837-83-4

Structural Information

Molecular Formula
C16H18N2O3
SMILES
COC1=CC2=C(C=C1)NC(=C2C=O)C(=O)N3CCCCC3
InChI
InChI=1S/C16H18N2O3/c1-21-11-5-6-14-12(9-11)13(10-19)15(17-14)16(20)18-7-3-2-4-8-18/h5-6,9-10,17H,2-4,7-8H2,1H3
InChIKey
FKJQPDVLAKSNGG-UHFFFAOYSA-N
Compound name
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 165.8
[M+Na]+ 309.120958 173.1
[M-H]- 285.124464 169.4
[M+NH4]+ 304.165563 180.8
[M+K]+ 325.094898 168.5
[M+H-H2O]+ 269.129000 157.4
[M+HCOO]- 331.129941 183.0
[M+CH3COO]- 345.145591 197.4
[M+Na-2H]- 307.106406 167.4
[M]+ 286.13119142 164.8
[M]- 286.13228858 164.8
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.