CID 100592

74101-15-8

Structural Information

Molecular Formula
C18H12Br2N4S
SMILES
C1=CC(=CC=C1C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Br)Br
InChI
InChI=1S/C18H12Br2N4S/c19-13-5-1-11(2-6-13)15-9-17(21)24(23-15)18-22-16(10-25-18)12-3-7-14(20)8-4-12/h1-10H,21H2
InChIKey
XJSWXTNXSKIQJP-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.91495 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.92223 167.7
[M+Na]+ 496.90417 181.5
[M-H]- 472.90767 180.4
[M+NH4]+ 491.94877 182.0
[M+K]+ 512.87811 165.4
[M+H-H2O]+ 456.91221 175.7
[M+HCOO]- 518.91315 182.1
[M+CH3COO]- 532.92880 181.3
[M+Na-2H]- 494.88962 170.3
[M]+ 473.91440 204.1
[M]- 473.91550 204.1
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.