CID 7130955

1006463-47-3

Structural Information

Molecular Formula
C12H16N4O
SMILES
CC(C)N1C(=CC=N1)NC(=NC)C2=CC=CO2
InChI
InChI=1S/C12H16N4O/c1-9(2)16-11(6-7-14-16)15-12(13-3)10-5-4-8-17-10/h4-9H,1-3H3,(H,13,15)
InChIKey
KFMKLNJWWFUWOZ-UHFFFAOYSA-N
Compound name
N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)furan-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.13242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.139696 153.3
[M+Na]+ 255.121638 160.9
[M-H]- 231.125144 160.3
[M+NH4]+ 250.166243 170.8
[M+K]+ 271.095578 160.3
[M+H-H2O]+ 215.129680 144.6
[M+HCOO]- 277.130621 179.7
[M+CH3COO]- 291.146271 196.4
[M+Na-2H]- 253.107086 157.2
[M]+ 232.13187142 156.5
[M]- 232.13296858 156.5
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.