CID 40199

52019-03-1

Structural Information

Molecular Formula
C17H18N2
SMILES
CC(CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)N
InChI
InChI=1S/C17H18N2/c1-12(18)11-15-14-9-5-6-10-16(14)19-17(15)13-7-3-2-4-8-13/h2-10,12,19H,11,18H2,1H3
InChIKey
GOPCDZFAFBMJGR-UHFFFAOYSA-N
Compound name
1-(2-phenyl-1H-indol-3-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.1
[M+Na]+ 273.13622 166.1
[M-H]- 249.13972 163.1
[M+NH4]+ 268.18082 175.6
[M+K]+ 289.11016 159.8
[M+H-H2O]+ 233.14426 150.4
[M+HCOO]- 295.14520 180.2
[M+CH3COO]- 309.16085 169.9
[M+Na-2H]- 271.12167 162.4
[M]+ 250.14645 156.5
[M]- 250.14755 156.5
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.