CID 107345129

Dtxsid101366125

Structural Information

Molecular Formula
C13H14N4O2
SMILES
C1C(OC2=CC=CC=C21)CN3C=C(C(=N3)C(=O)N)N
InChI
InChI=1S/C13H14N4O2/c14-10-7-17(16-12(10)13(15)18)6-9-5-8-3-1-2-4-11(8)19-9/h1-4,7,9H,5-6,14H2,(H2,15,18)
InChIKey
MKGSFVSKRJVLIS-UHFFFAOYSA-N
Compound name
4-amino-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.118936 156.8
[M+Na]+ 281.100878 164.9
[M-H]- 257.104384 162.5
[M+NH4]+ 276.145483 173.2
[M+K]+ 297.074818 162.2
[M+H-H2O]+ 241.108920 149.1
[M+HCOO]- 303.109861 178.4
[M+CH3COO]- 317.125511 168.8
[M+Na-2H]- 279.086326 158.7
[M]+ 258.11111142 155.7
[M]- 258.11220858 155.7
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.