CID 54308

78907-16-1

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC(C)(C)NCC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H18N2O/c1-14(2,3)16-9-13(17)11-8-15-12-7-5-4-6-10(11)12/h4-8,15-16H,9H2,1-3H3
InChIKey
USQHTJSTTGAPHW-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 154.3
[M+Na]+ 253.131118 162.0
[M-H]- 229.134624 156.5
[M+NH4]+ 248.175723 173.1
[M+K]+ 269.105058 157.9
[M+H-H2O]+ 213.139160 148.0
[M+HCOO]- 275.140101 175.3
[M+CH3COO]- 289.155751 191.2
[M+Na-2H]- 251.116566 160.3
[M]+ 230.14135142 154.8
[M]- 230.14244858 154.8
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

No patent data available for this compound.