CID 3044325

Brn 0450870

Structural Information

Molecular Formula
C19H19BrN2O3
SMILES
CCOC1=CC=CC=C1NC(=O)C2=C(C3=CC=CC=C3N2)OCCBr
InChI
InChI=1S/C19H19BrN2O3/c1-2-24-16-10-6-5-9-15(16)22-19(23)17-18(25-12-11-20)13-7-3-4-8-14(13)21-17/h3-10,21H,2,11-12H2,1H3,(H,22,23)
InChIKey
HLQPMEJODLERJL-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-N-(2-ethoxyphenyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.05792 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06520 187.2
[M+Na]+ 425.04714 197.1
[M-H]- 401.05064 194.7
[M+NH4]+ 420.09174 202.4
[M+K]+ 441.02108 184.4
[M+H-H2O]+ 385.05518 184.6
[M+HCOO]- 447.05612 207.1
[M+CH3COO]- 461.07177 216.4
[M+Na-2H]- 423.03259 191.3
[M]+ 402.05737 209.0
[M]- 402.05847 209.0
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.