CID 55035840

[3-(3-ethyl-1-benzofuran-2-yl)-1h-pyrazol-5-yl]methanamine

Structural Information

Molecular Formula
C14H15N3O
SMILES
CCC1=C(OC2=CC=CC=C21)C3=NNC(=C3)CN
InChI
InChI=1S/C14H15N3O/c1-2-10-11-5-3-4-6-13(11)18-14(10)12-7-9(8-15)16-17-12/h3-7H,2,8,15H2,1H3,(H,16,17)
InChIKey
MGGZPGUQXFJVNJ-UHFFFAOYSA-N
Compound name
[3-(3-ethyl-1-benzofuran-2-yl)-1H-pyrazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 153.3
[M+Na]+ 264.11072 163.8
[M-H]- 240.11422 158.6
[M+NH4]+ 259.15532 170.8
[M+K]+ 280.08466 159.4
[M+H-H2O]+ 224.11876 146.1
[M+HCOO]- 286.11970 176.2
[M+CH3COO]- 300.13535 166.4
[M+Na-2H]- 262.09617 157.4
[M]+ 241.12095 155.2
[M]- 241.12205 155.2
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.