CID 1498371

74101-22-7

Structural Information

Molecular Formula
C19H15ClN4OS
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H15ClN4OS/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
KRQLPPFUHVHDLT-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-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

382.06552 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07280 187.6
[M+Na]+ 405.05474 204.8
[M+NH4]+ 400.09934 196.0
[M+K]+ 421.02868 197.3
[M-H]- 381.05824 195.2
[M+Na-2H]- 403.04019 198.7
[M]+ 382.06497 193.1
[M]- 382.06607 193.1
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.