CID 66430919

1516651-41-4

Structural Information

Molecular Formula
C14H19N3
SMILES
CC1=NN(C(=C1C2=CC=CC=C2)N)CC(C)C
InChI
InChI=1S/C14H19N3/c1-10(2)9-17-14(15)13(11(3)16-17)12-7-5-4-6-8-12/h4-8,10H,9,15H2,1-3H3
InChIKey
RKTIDSAYPGTWTK-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-methylpropyl)-4-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1579 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.165176 154.7
[M+Na]+ 252.147118 163.0
[M-H]- 228.150624 158.9
[M+NH4]+ 247.191723 171.8
[M+K]+ 268.121058 159.0
[M+H-H2O]+ 212.155160 146.4
[M+HCOO]- 274.156101 176.7
[M+CH3COO]- 288.171751 195.7
[M+Na-2H]- 250.132566 156.3
[M]+ 229.15735142 154.5
[M]- 229.15844858 154.5
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.