CID 1498364

Brn 1157353

Structural Information

Molecular Formula
C18H13BrN4S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)N3C(=CC(=N3)C4=CC=C(C=C4)Br)N
InChI
InChI=1S/C18H13BrN4S/c19-14-8-6-13(7-9-14)15-10-17(20)23(22-15)18-21-16(11-24-18)12-4-2-1-3-5-12/h1-11H,20H2
InChIKey
FBOHUSPCPCMHGJ-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.00443 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.01171 174.6
[M+Na]+ 418.99365 189.7
[M-H]- 394.99715 187.9
[M+NH4]+ 414.03825 190.2
[M+K]+ 434.96759 175.8
[M+H-H2O]+ 379.00169 173.2
[M+HCOO]- 441.00263 193.5
[M+CH3COO]- 455.01828 188.8
[M+Na-2H]- 416.97910 176.5
[M]+ 396.00388 195.9
[M]- 396.00498 195.9
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.