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]+ 305.18596 172.7
[M+Na]+ 327.16790 181.7
[M-H]- 303.17140 178.0
[M+NH4]+ 322.21250 190.5
[M+K]+ 343.14184 179.9
[M+H-H2O]+ 287.17594 165.3
[M+HCOO]- 349.17688 196.6
[M+CH3COO]- 363.19253 213.5
[M+Na-2H]- 325.15335 174.1
[M]+ 304.17813 181.9
[M]- 304.17923 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.