CID 28973

Of-2434

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.