CID 3060288

77941-18-5

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CN(C)CCN1C2=CC=CC=C2C(=C1C(=O)OC)OC
InChI
InChI=1S/C15H20N2O3/c1-16(2)9-10-17-12-8-6-5-7-11(12)14(19-3)13(17)15(18)20-4/h5-8H,9-10H2,1-4H3
InChIKey
GHOGTEYMOLOESX-UHFFFAOYSA-N
Compound name
methyl 1-[2-(dimethylamino)ethyl]-3-methoxyindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

276.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15468 163.6
[M+Na]+ 299.13662 172.5
[M-H]- 275.14012 168.9
[M+NH4]+ 294.18122 182.3
[M+K]+ 315.11056 171.2
[M+H-H2O]+ 259.14466 156.2
[M+HCOO]- 321.14560 188.3
[M+CH3COO]- 335.16125 206.3
[M+Na-2H]- 297.12207 166.7
[M]+ 276.14685 171.7
[M]- 276.14795 171.7
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

patents stripe