CID 5044574

618092-92-5

Structural Information

Molecular Formula
C16H14ClN3
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3Cl)N
InChI
InChI=1S/C16H14ClN3/c1-11-6-8-12(9-7-11)20-16(18)10-15(19-20)13-4-2-3-5-14(13)17/h2-10H,18H2,1H3
InChIKey
QNNONQKHTBIYRR-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

283.08762 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09490 165.2
[M+Na]+ 306.07684 182.1
[M+NH4]+ 301.12144 174.4
[M+K]+ 322.05078 174.6
[M-H]- 282.08034 171.8
[M+Na-2H]- 304.06229 176.0
[M]+ 283.08707 170.0
[M]- 283.08817 170.0
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

patents stripe