CID 1265037

Methyl 3-(1h-indol-3-yl)-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C13H11N3O2
SMILES
COC(=O)C1=CC(=NN1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H11N3O2/c1-18-13(17)12-6-11(15-16-12)9-7-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,16)
InChIKey
OKFMGDVQFVYLLV-UHFFFAOYSA-N
Compound name
methyl 3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

241.08513 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 152.2
[M+Na]+ 264.07435 162.3
[M-H]- 240.07785 154.7
[M+NH4]+ 259.11895 169.0
[M+K]+ 280.04829 157.3
[M+H-H2O]+ 224.08239 144.4
[M+HCOO]- 286.08333 172.5
[M+CH3COO]- 300.09898 164.4
[M+Na-2H]- 262.05980 155.7
[M]+ 241.08458 153.0
[M]- 241.08568 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe