CID 24704793

3-[(3,5-dimethyl-1h-pyrazol-1-yl)methyl]-n'-hydroxybenzene-1-carboximidamide

Structural Information

Molecular Formula
C13H16N4O
SMILES
CC1=CC(=NN1CC2=CC(=CC=C2)/C(=N/O)/N)C
InChI
InChI=1S/C13H16N4O/c1-9-6-10(2)17(15-9)8-11-4-3-5-12(7-11)13(14)16-18/h3-7,18H,8H2,1-2H3,(H2,14,16)
InChIKey
NGBOLHCXGNMUHM-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.13242 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.139696 156.3
[M+Na]+ 267.121638 164.3
[M-H]- 243.125144 160.8
[M+NH4]+ 262.166243 172.3
[M+K]+ 283.095578 160.5
[M+H-H2O]+ 227.129680 147.6
[M+HCOO]- 289.130621 180.1
[M+CH3COO]- 303.146271 198.4
[M+Na-2H]- 265.107086 159.0
[M]+ 244.13187142 155.7
[M]- 244.13296858 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.