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 187.8
[M+Na]+ 405.05474 200.9
[M-H]- 381.05824 198.8
[M+NH4]+ 400.09934 200.7
[M+K]+ 421.02868 192.8
[M+H-H2O]+ 365.06278 178.8
[M+HCOO]- 427.06372 203.5
[M+CH3COO]- 441.07937 199.5
[M+Na-2H]- 403.04019 185.9
[M]+ 382.06497 194.6
[M]- 382.06607 194.6
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.