CID 207354

29745-42-4

Structural Information

Molecular Formula
C17H17N3O2
SMILES
COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C17H17N3O2/c1-22-14-4-5-16-15(9-14)12(11-20-16)6-8-19-17(21)13-3-2-7-18-10-13/h2-5,7,9-11,20H,6,8H2,1H3,(H,19,21)
InChIKey
JAXFNBSXSXDREO-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 167.4
[M+Na]+ 318.12130 175.3
[M-H]- 294.12480 171.5
[M+NH4]+ 313.16590 181.7
[M+K]+ 334.09524 169.9
[M+H-H2O]+ 278.12934 158.3
[M+HCOO]- 340.13028 189.3
[M+CH3COO]- 354.14593 178.4
[M+Na-2H]- 316.10675 172.9
[M]+ 295.13153 169.2
[M]- 295.13263 169.2
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