CID 223714

100061-56-1

Structural Information

Molecular Formula
C11H12N4O
SMILES
CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)N
InChI
InChI=1S/C11H12N4O/c1-7-2-4-8(5-3-7)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKey
MXBYCCRXPQPHBP-UHFFFAOYSA-N
Compound name
5-amino-1-(4-methylphenyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

216.1011 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.108376 147.3
[M+Na]+ 239.090318 156.2
[M-H]- 215.093824 151.6
[M+NH4]+ 234.134923 164.1
[M+K]+ 255.064258 152.5
[M+H-H2O]+ 199.098360 139.1
[M+HCOO]- 261.099301 171.1
[M+CH3COO]- 275.114951 192.5
[M+Na-2H]- 237.075766 150.0
[M]+ 216.10055142 145.1
[M]- 216.10164858 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

patents stripe