CID 16770210

1-benzyl-3-(2-methylphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C17H17N3
SMILES
CC1=CC=CC=C1C2=NN(C(=C2)N)CC3=CC=CC=C3
InChI
InChI=1S/C17H17N3/c1-13-7-5-6-10-15(13)16-11-17(18)20(19-16)12-14-8-3-2-4-9-14/h2-11H,12,18H2,1H3
InChIKey
ZKUGNSDBMVOEJE-UHFFFAOYSA-N
Compound name
1-benzyl-3-(2-methylphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.14224 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.149516 161.5
[M+Na]+ 286.131458 170.2
[M-H]- 262.134964 168.8
[M+NH4]+ 281.176063 176.7
[M+K]+ 302.105398 164.1
[M+H-H2O]+ 246.139500 151.9
[M+HCOO]- 308.140441 184.9
[M+CH3COO]- 322.156091 173.5
[M+Na-2H]- 284.116906 165.1
[M]+ 263.14169142 160.4
[M]- 263.14278858 160.4
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.