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
2-benzyl-5-(2-methylphenyl)pyrazol-3-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]+ 264.14952 161.5
[M+Na]+ 286.13146 170.2
[M-H]- 262.13496 168.8
[M+NH4]+ 281.17606 176.7
[M+K]+ 302.10540 164.1
[M+H-H2O]+ 246.13950 151.9
[M+HCOO]- 308.14044 184.9
[M+CH3COO]- 322.15609 173.5
[M+Na-2H]- 284.11691 165.1
[M]+ 263.14169 160.4
[M]- 263.14279 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.