CID 395810

66012-82-6

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C14H18N2O2/c1-3-14(17)15-7-6-10-9-16-13-5-4-11(18-2)8-12(10)13/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKey
VXGNHTKZJOTYNZ-UHFFFAOYSA-N
Compound name
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

6
Patents

246.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.144106 156.4
[M+Na]+ 269.126048 164.4
[M-H]- 245.129554 158.6
[M+NH4]+ 264.170653 174.7
[M+K]+ 285.099988 160.4
[M+H-H2O]+ 229.134090 149.4
[M+HCOO]- 291.135031 179.2
[M+CH3COO]- 305.150681 194.1
[M+Na-2H]- 267.111496 160.9
[M]+ 246.13628142 159.2
[M]- 246.13737858 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe