CID 3044327

Brn 0445303

Structural Information

Molecular Formula
C19H19BrN2O2
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N2)OCCBr)C
InChI
InChI=1S/C19H19BrN2O2/c1-12-7-8-15(13(2)11-12)22-19(23)17-18(24-10-9-20)14-5-3-4-6-16(14)21-17/h3-8,11,21H,9-10H2,1-2H3,(H,22,23)
InChIKey
CQCVBYJJXAPQQS-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)-N-(2,4-dimethylphenyl)-1H-indole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.063 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.07028 185.2
[M+Na]+ 409.05222 196.3
[M-H]- 385.05572 193.2
[M+NH4]+ 404.09682 201.5
[M+K]+ 425.02616 182.9
[M+H-H2O]+ 369.06026 183.1
[M+HCOO]- 431.06120 205.0
[M+CH3COO]- 445.07685 215.5
[M+Na-2H]- 407.03767 188.5
[M]+ 386.06245 206.2
[M]- 386.06355 206.2
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.