CID 46794

1-butanone, 3-amino-1-(5-phenyl-1h-indol-3-yl)-, monohydrochloride, (+-)-

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC(CC(=O)C1=CNC2=C1C=C(C=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C18H18N2O/c1-12(19)9-18(21)16-11-20-17-8-7-14(10-15(16)17)13-5-3-2-4-6-13/h2-8,10-12,20H,9,19H2,1H3
InChIKey
AFBGZKIPUCSIQZ-UHFFFAOYSA-N
Compound name
3-amino-1-(5-phenyl-1H-indol-3-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.6
[M+Na]+ 301.131118 173.0
[M-H]- 277.134624 170.6
[M+NH4]+ 296.175723 181.7
[M+K]+ 317.105058 167.0
[M+H-H2O]+ 261.139160 157.8
[M+HCOO]- 323.140101 186.7
[M+CH3COO]- 337.155751 176.7
[M+Na-2H]- 299.116566 168.2
[M]+ 278.14135142 164.4
[M]- 278.14244858 164.4
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.