CID 1498378

Brn 1161115

Structural Information

Molecular Formula
C19H15BrN4S
SMILES
CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H15BrN4S/c1-12-2-4-13(5-3-12)16-10-18(21)24(23-16)19-22-17(11-25-19)14-6-8-15(20)9-7-14/h2-11H,21H2,1H3
InChIKey
OOSKDJCSCKUBNR-UHFFFAOYSA-N
Compound name
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.02008 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.02736 179.5
[M+Na]+ 433.00930 195.0
[M-H]- 409.01280 193.0
[M+NH4]+ 428.05390 194.8
[M+K]+ 448.98324 180.8
[M+H-H2O]+ 393.01734 178.1
[M+HCOO]- 455.01828 198.1
[M+CH3COO]- 469.03393 193.6
[M+Na-2H]- 430.99475 180.3
[M]+ 410.01953 201.5
[M]- 410.02063 201.5
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.