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
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-(4-methoxyphenyl)pyrazol-3-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]+ 427.02226 182.1
[M+Na]+ 449.00420 197.2
[M-H]- 425.00770 195.6
[M+NH4]+ 444.04880 196.7
[M+K]+ 464.97814 183.6
[M+H-H2O]+ 409.01224 180.5
[M+HCOO]- 471.01318 200.8
[M+CH3COO]- 485.02883 196.0
[M+Na-2H]- 446.98965 183.1
[M]+ 426.01443 205.2
[M]- 426.01553 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.