CID 51664

Brn 0429011

Structural Information

Molecular Formula
C18H19N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2CCCNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H19N3O2/c1-23-15-4-5-17-16(11-15)14(12-21-17)3-2-8-20-18(22)13-6-9-19-10-7-13/h4-7,9-12,21H,2-3,8H2,1H3,(H,20,22)
InChIKey
LOBHEUKBDZAKFC-UHFFFAOYSA-N
Compound name
N-[3-(5-methoxy-1H-indol-3-yl)propyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 171.9
[M+Na]+ 332.13696 179.4
[M-H]- 308.14046 175.8
[M+NH4]+ 327.18156 185.6
[M+K]+ 348.11090 173.7
[M+H-H2O]+ 292.14500 162.6
[M+HCOO]- 354.14594 193.4
[M+CH3COO]- 368.16159 204.8
[M+Na-2H]- 330.12241 176.8
[M]+ 309.14719 174.0
[M]- 309.14829 174.0
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.