CID 23317

Brn 0482073

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCN(CC)CC(=O)C1=CNC2=C1C=C(C=C2)N(C)C
InChI
InChI=1S/C16H23N3O/c1-5-19(6-2)11-16(20)14-10-17-15-8-7-12(18(3)4)9-13(14)15/h7-10,17H,5-6,11H2,1-4H3
InChIKey
MVAKTVSKHZBBPQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 166.8
[M+Na]+ 296.17332 173.3
[M-H]- 272.17682 171.5
[M+NH4]+ 291.21792 184.8
[M+K]+ 312.14726 171.0
[M+H-H2O]+ 256.18136 158.8
[M+HCOO]- 318.18230 190.7
[M+CH3COO]- 332.19795 210.5
[M+Na-2H]- 294.15877 169.1
[M]+ 273.18355 170.7
[M]- 273.18465 170.7
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.