CID 6864219

1310361-97-7

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CC(C)C1=CC(=NN1)C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C12H14N4O2/c1-8(2)10-6-11(15-14-10)12(17)16-13-7-9-4-3-5-18-9/h3-8H,1-2H3,(H,14,15)(H,16,17)/b13-7+
InChIKey
XRMAKMJMCXXXJL-NTUHNPAUSA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

246.11168 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 155.6
[M+Na]+ 269.10090 164.9
[M+NH4]+ 264.14550 161.2
[M+K]+ 285.07484 164.6
[M-H]- 245.10440 158.3
[M+Na-2H]- 267.08635 160.9
[M]+ 246.11113 157.2
[M]- 246.11223 157.2
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