CID 514279

Schembl4431910

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=CN=C3)C4CCCC4
InChI
InChI=1S/C19H19N3O2/c1-22-16-10-13(19(23)24)6-7-14(16)17(12-4-2-3-5-12)18(22)15-11-20-8-9-21-15/h6-12H,2-5H2,1H3,(H,23,24)
InChIKey
WVOJTLCYJVZDQX-UHFFFAOYSA-N
Compound name
3-cyclopentyl-1-methyl-2-pyrazin-2-ylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

321.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.5
[M+Na]+ 344.13696 184.1
[M-H]- 320.14046 182.1
[M+NH4]+ 339.18156 189.4
[M+K]+ 360.11090 178.4
[M+H-H2O]+ 304.14500 166.1
[M+HCOO]- 366.14594 193.5
[M+CH3COO]- 380.16159 186.1
[M+Na-2H]- 342.12241 174.8
[M]+ 321.14719 175.6
[M]- 321.14829 175.6
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.