CID 23273

Brn 0477609

Structural Information

Molecular Formula
C14H21N3
SMILES
CN(C)CCC1=CNC2=C1C=C(C=C2)N(C)C
InChI
InChI=1S/C14H21N3/c1-16(2)8-7-11-10-15-14-6-5-12(17(3)4)9-13(11)14/h5-6,9-10,15H,7-8H2,1-4H3
InChIKey
KCUZCIHDOGQSBO-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-N,N-dimethyl-1H-indol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17355 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.18083 154.9
[M+Na]+ 254.16277 162.5
[M-H]- 230.16627 159.9
[M+NH4]+ 249.20737 174.9
[M+K]+ 270.13671 160.2
[M+H-H2O]+ 214.17081 147.3
[M+HCOO]- 276.17175 180.1
[M+CH3COO]- 290.18740 202.5
[M+Na-2H]- 252.14822 159.5
[M]+ 231.17300 158.0
[M]- 231.17410 158.0
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.