CID 46794

3-amino-1-(5-phenyl-1h-indol-3-yl)-1-butanone 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]+ 279.14918 165.6
[M+Na]+ 301.13112 173.0
[M-H]- 277.13462 170.6
[M+NH4]+ 296.17572 181.7
[M+K]+ 317.10506 167.0
[M+H-H2O]+ 261.13916 157.8
[M+HCOO]- 323.14010 186.7
[M+CH3COO]- 337.15575 176.7
[M+Na-2H]- 299.11657 168.2
[M]+ 278.14135 164.4
[M]- 278.14245 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.