CID 7130955

N'-(1-isopropyl-1h-pyrazol-5-yl)-n-methylfuran-2-carboximidamide

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]+ 233.13970 153.3
[M+Na]+ 255.12164 160.9
[M-H]- 231.12514 160.3
[M+NH4]+ 250.16624 170.8
[M+K]+ 271.09558 160.3
[M+H-H2O]+ 215.12968 144.6
[M+HCOO]- 277.13062 179.7
[M+CH3COO]- 291.14627 196.4
[M+Na-2H]- 253.10709 157.2
[M]+ 232.13187 156.5
[M]- 232.13297 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.