CID 53106

74758-30-8

Structural Information

Molecular Formula
C18H21N3
SMILES
CN(C)CCNN1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3/c1-20(2)13-12-19-21-14-17(15-8-4-3-5-9-15)16-10-6-7-11-18(16)21/h3-11,14,19H,12-13H2,1-2H3
InChIKey
FKZPQNILYIRWQW-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.17355 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.180826 165.4
[M+Na]+ 302.162768 172.9
[M-H]- 278.166274 173.3
[M+NH4]+ 297.207373 183.0
[M+K]+ 318.136708 168.3
[M+H-H2O]+ 262.170810 156.3
[M+HCOO]- 324.171751 191.7
[M+CH3COO]- 338.187401 177.8
[M+Na-2H]- 300.148216 171.6
[M]+ 279.17300142 168.1
[M]- 279.17409858 168.1
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.