CID 674369

84637-30-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 165.5
[M+Na]+ 306.07684 176.1
[M-H]- 282.08034 172.8
[M+NH4]+ 301.12144 180.9
[M+K]+ 322.05078 168.7
[M+H-H2O]+ 266.08488 156.3
[M+HCOO]- 328.08582 184.3
[M+CH3COO]- 342.10147 177.6
[M+Na-2H]- 304.06229 168.0
[M]+ 283.08707 166.5
[M]- 283.08817 166.5
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.