CID 43157467

5-cyclopropyl-4-phenyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CC1C2=C(C(=NN2)N)C3=CC=CC=C3
InChI
InChI=1S/C12H13N3/c13-12-10(8-4-2-1-3-5-8)11(14-15-12)9-6-7-9/h1-5,9H,6-7H2,(H3,13,14,15)
InChIKey
SUYSYRPYNFPWJT-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-phenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

199.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 142.4
[M+Na]+ 222.100168 152.5
[M-H]- 198.103674 148.9
[M+NH4]+ 217.144773 154.9
[M+K]+ 238.074108 146.4
[M+H-H2O]+ 182.108210 134.5
[M+HCOO]- 244.109151 165.4
[M+CH3COO]- 258.124801 154.7
[M+Na-2H]- 220.085616 147.1
[M]+ 199.11040142 141.1
[M]- 199.11149858 141.1
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