CID 56375

92292-25-6

Structural Information

Molecular Formula
C14H18N2O
SMILES
CCN(CC)CC(=O)C1=CNC2=CC=CC=C21
InChI
InChI=1S/C14H18N2O/c1-3-16(4-2)10-14(17)12-9-15-13-8-6-5-7-11(12)13/h5-9,15H,3-4,10H2,1-2H3
InChIKey
KEFPCGXODAAGLR-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(1H-indol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3
Patents

230.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 153.6
[M+Na]+ 253.13112 160.9
[M-H]- 229.13462 156.9
[M+NH4]+ 248.17572 172.9
[M+K]+ 269.10506 157.7
[M+H-H2O]+ 213.13916 146.4
[M+HCOO]- 275.14010 176.8
[M+CH3COO]- 289.15575 194.9
[M+Na-2H]- 251.11657 158.0
[M]+ 230.14135 155.9
[M]- 230.14245 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe