CID 1498372

74101-17-0

Structural Information

Molecular Formula
C19H15BrN4OS
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C19H15BrN4OS/c1-25-15-8-4-12(5-9-15)16-10-18(21)24(23-16)19-22-17(11-26-19)13-2-6-14(20)7-3-13/h2-11H,21H2,1H3
InChIKey
HNEZTKIDMAZXRO-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.01498 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.022256 182.1
[M+Na]+ 449.004198 197.2
[M-H]- 425.007704 195.6
[M+NH4]+ 444.048803 196.7
[M+K]+ 464.978138 183.6
[M+H-H2O]+ 409.012240 180.5
[M+HCOO]- 471.013181 200.8
[M+CH3COO]- 485.028831 196.0
[M+Na-2H]- 446.989646 183.1
[M]+ 426.01443142 205.2
[M]- 426.01552858 205.2
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.