CID 3143286

187085-81-0

Structural Information

Molecular Formula
C18H19N3O
SMILES
C1=CC=C(C=C1)CNC(=O)C(CC2=CNC3=CC=CC=C32)N
InChI
InChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)
InChIKey
LTLVOJXXQDFIPW-UHFFFAOYSA-N
Compound name
2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

293.1528 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 167.6
[M+Na]+ 316.142018 173.2
[M-H]- 292.145524 172.1
[M+NH4]+ 311.186623 182.5
[M+K]+ 332.115958 167.3
[M+H-H2O]+ 276.150060 159.1
[M+HCOO]- 338.151001 189.8
[M+CH3COO]- 352.166651 177.9
[M+Na-2H]- 314.127466 171.8
[M]+ 293.15225142 165.3
[M]- 293.15334858 165.3
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