CID 514280

1h-indole-6-carboxylic acid,2-(5-bromo-2-pyridinyl)-3-cyclopentyl-1-methyl-

Structural Information

Molecular Formula
C20H19BrN2O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=C(C=C3)Br)C4CCCC4
InChI
InChI=1S/C20H19BrN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25)
InChIKey
BEYRQPUUFFSUKX-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-2-yl)-3-cyclopentyl-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.063 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.07028 190.0
[M+Na]+ 421.05222 201.5
[M-H]- 397.05572 200.3
[M+NH4]+ 416.09682 206.3
[M+K]+ 437.02616 189.0
[M+H-H2O]+ 381.06026 188.6
[M+HCOO]- 443.06120 206.8
[M+CH3COO]- 457.07685 202.2
[M+Na-2H]- 419.03767 189.1
[M]+ 398.06245 208.7
[M]- 398.06355 208.7
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.