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]+ 242.128776 153.3
[M+Na]+ 264.110718 163.8
[M-H]- 240.114224 158.6
[M+NH4]+ 259.155323 170.8
[M+K]+ 280.084658 159.4
[M+H-H2O]+ 224.118760 146.1
[M+HCOO]- 286.119701 176.2
[M+CH3COO]- 300.135351 166.4
[M+Na-2H]- 262.096166 157.4
[M]+ 241.12095142 155.2
[M]- 241.12204858 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.