CID 202779

13288-83-0

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)N)N
InChI
InChI=1S/C15H14N4/c16-12-8-6-11(7-9-12)14-10-15(17)19(18-14)13-4-2-1-3-5-13/h1-10H,16-17H2
InChIKey
HZNCNTSMTYTUSA-UHFFFAOYSA-N
Compound name
3-(4-aminophenyl)-1-phenylpyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

250.12184 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.129116 155.8
[M+Na]+ 273.111058 164.5
[M-H]- 249.114564 163.0
[M+NH4]+ 268.155663 171.0
[M+K]+ 289.084998 158.5
[M+H-H2O]+ 233.119100 146.3
[M+HCOO]- 295.120041 180.3
[M+CH3COO]- 309.135691 167.9
[M+Na-2H]- 271.096506 160.2
[M]+ 250.12129142 152.5
[M]- 250.12238858 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe