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]+ 280.18083 165.4
[M+Na]+ 302.16277 172.9
[M-H]- 278.16627 173.3
[M+NH4]+ 297.20737 183.0
[M+K]+ 318.13671 168.3
[M+H-H2O]+ 262.17081 156.3
[M+HCOO]- 324.17175 191.7
[M+CH3COO]- 338.18740 177.8
[M+Na-2H]- 300.14822 171.6
[M]+ 279.17300 168.1
[M]- 279.17410 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.