CID 60873839

3-amino-4-(4-methyl-1h-pyrazol-1-yl)benzamide

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=CN(N=C1)C2=C(C=C(C=C2)C(=O)N)N
InChI
InChI=1S/C11H12N4O/c1-7-5-14-15(6-7)10-3-2-8(11(13)16)4-9(10)12/h2-6H,12H2,1H3,(H2,13,16)
InChIKey
GMNSNGZMGBCTQQ-UHFFFAOYSA-N
Compound name
3-amino-4-(4-methylpyrazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1011 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10838 147.3
[M+Na]+ 239.09032 156.2
[M-H]- 215.09382 151.6
[M+NH4]+ 234.13492 164.1
[M+K]+ 255.06426 152.5
[M+H-H2O]+ 199.09836 139.1
[M+HCOO]- 261.09930 171.1
[M+CH3COO]- 275.11495 192.5
[M+Na-2H]- 237.07577 150.0
[M]+ 216.10055 145.1
[M]- 216.10165 145.1
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.