CID 3078205

1-(3-diethylamino-2-hydroxypropyl)-2-methyl-3-ethoxycarbonyl-5-methoxy-6-bromoindole hcl

Structural Information

Molecular Formula
C20H29BrN2O4
SMILES
CCN(CC)CC(CN1C(=C(C2=CC(=C(C=C21)Br)OC)C(=O)OCC)C)O
InChI
InChI=1S/C20H29BrN2O4/c1-6-22(7-2)11-14(24)12-23-13(4)19(20(25)27-8-3)15-9-18(26-5)16(21)10-17(15)23/h9-10,14,24H,6-8,11-12H2,1-5H3
InChIKey
SZONAEBOLOFIQZ-UHFFFAOYSA-N
Compound name
ethyl 6-bromo-1-[3-(diethylamino)-2-hydroxypropyl]-5-methoxy-2-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

440.13107 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.13835 199.8
[M+Na]+ 463.12029 209.6
[M-H]- 439.12379 205.6
[M+NH4]+ 458.16489 214.9
[M+K]+ 479.09423 198.9
[M+H-H2O]+ 423.12833 197.3
[M+HCOO]- 485.12927 217.5
[M+CH3COO]- 499.14492 231.1
[M+Na-2H]- 461.10574 198.3
[M]+ 440.13052 226.7
[M]- 440.13162 226.7
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

No patent data available for this compound.