CID 3060292

77941-20-9

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
CCOC1=C(N(C2=C1C=C(C=C2)Cl)CCN(C)C)C(=O)OC
InChI
InChI=1S/C16H21ClN2O3/c1-5-22-15-12-10-11(17)6-7-13(12)19(9-8-18(2)3)14(15)16(20)21-4/h6-7,10H,5,8-9H2,1-4H3
InChIKey
SXETZIOSHZORQK-UHFFFAOYSA-N
Compound name
methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.12408 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 174.9
[M+Na]+ 347.11330 185.1
[M-H]- 323.11680 180.2
[M+NH4]+ 342.15790 192.8
[M+K]+ 363.08724 181.7
[M+H-H2O]+ 307.12134 168.3
[M+HCOO]- 369.12228 194.6
[M+CH3COO]- 383.13793 214.1
[M+Na-2H]- 345.09875 176.3
[M]+ 324.12353 185.8
[M]- 324.12463 185.8
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.