CID 28283191

2145474-02-6

Structural Information

Molecular Formula
C12H15N3
SMILES
CC(C)C1=C(NN=C1N)C2=CC=CC=C2
InChI
InChI=1S/C12H15N3/c1-8(2)10-11(14-15-12(10)13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H3,13,14,15)
InChIKey
SEKWAKRNTBHSDP-UHFFFAOYSA-N
Compound name
5-phenyl-4-propan-2-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.9
[M+Na]+ 224.11582 153.7
[M-H]- 200.11932 148.7
[M+NH4]+ 219.16042 163.1
[M+K]+ 240.08976 149.3
[M+H-H2O]+ 184.12386 138.0
[M+HCOO]- 246.12480 167.1
[M+CH3COO]- 260.14045 186.0
[M+Na-2H]- 222.10127 148.9
[M]+ 201.12605 142.8
[M]- 201.12715 142.8
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.