CID 209325

Pyrazole, 3-methyl-4-(methylamino)-1-phenyl-

Structural Information

Molecular Formula
C11H13N3
SMILES
CC1=NN(C=C1NC)C2=CC=CC=C2
InChI
InChI=1S/C11H13N3/c1-9-11(12-2)8-14(13-9)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKey
XSSYQASBFGMJRY-UHFFFAOYSA-N
Compound name
N,3-dimethyl-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

187.11095 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 139.9
[M+Na]+ 210.100168 148.9
[M-H]- 186.103674 144.6
[M+NH4]+ 205.144773 158.8
[M+K]+ 226.074108 145.5
[M+H-H2O]+ 170.108210 131.7
[M+HCOO]- 232.109151 164.6
[M+CH3COO]- 246.124801 185.3
[M+Na-2H]- 208.085616 146.1
[M]+ 187.11040142 139.9
[M]- 187.11149858 139.9
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