CID 28983

Of-2498

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCCN(C)C)C)C
InChI
InChI=1S/C17H24N2O3/c1-6-21-17(20)16-12(2)19(5)15-8-7-13(11-14(15)16)22-10-9-18(3)4/h7-8,11H,6,9-10H2,1-5H3
InChIKey
JCJYZOLORQHTDS-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(dimethylamino)ethoxy]-1,2-dimethylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

304.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 172.7
[M+Na]+ 327.167898 181.7
[M-H]- 303.171404 178.0
[M+NH4]+ 322.212503 190.5
[M+K]+ 343.141838 179.9
[M+H-H2O]+ 287.175940 165.3
[M+HCOO]- 349.176881 196.6
[M+CH3COO]- 363.192531 213.5
[M+Na-2H]- 325.153346 174.1
[M]+ 304.17813142 181.9
[M]- 304.17922858 181.9
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