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 157.0
[M+Na]+ 270.07685 167.9
[M-H]- 246.08035 162.4
[M+NH4]+ 265.12145 177.2
[M+K]+ 286.05079 161.8
[M+H-H2O]+ 230.08489 149.8
[M+HCOO]- 292.08583 174.8
[M+CH3COO]- 306.10148 169.8
[M+Na-2H]- 268.06230 158.0
[M]+ 247.08708 157.7
[M]- 247.08818 157.7
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.