CID 22004860

N-[2-(5-hydroxy-1h-indol-3-yl)ethyl]butanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

246.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.5
[M+Na]+ 269.12605 164.2
[M-H]- 245.12955 157.4
[M+NH4]+ 264.17065 174.1
[M+K]+ 285.09999 159.3
[M+H-H2O]+ 229.13409 149.9
[M+HCOO]- 291.13503 177.9
[M+CH3COO]- 305.15068 191.7
[M+Na-2H]- 267.11150 160.7
[M]+ 246.13628 157.5
[M]- 246.13738 157.5
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