CID 65348831

2-(3-chloro-4-methylphenyl)-2h,4h,5h,6h-cyclopenta[c]pyrazol-3-amine

Structural Information

Molecular Formula
C13H14ClN3
SMILES
CC1=C(C=C(C=C1)N2C(=C3CCCC3=N2)N)Cl
InChI
InChI=1S/C13H14ClN3/c1-8-5-6-9(7-11(8)14)17-13(15)10-3-2-4-12(10)16-17/h5-7H,2-4,15H2,1H3
InChIKey
BUQZIUDHZYZGMP-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09491 153.5
[M+Na]+ 270.07685 167.0
[M+NH4]+ 265.12145 162.9
[M+K]+ 286.05079 163.0
[M-H]- 246.08035 157.4
[M+Na-2H]- 268.06230 159.8
[M]+ 247.08708 156.8
[M]- 247.08818 156.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.