CID 1498382

Brn 1157013

Structural Information

Molecular Formula
C18H13ClN4S
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN4S/c19-14-8-6-13(7-9-14)16-11-24-18(21-16)23-17(20)10-15(22-23)12-4-2-1-3-5-12/h1-11H,20H2
InChIKey
YNBACVPURPXVHI-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.05493 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06221 179.8
[M+Na]+ 375.04415 192.9
[M-H]- 351.04765 190.6
[M+NH4]+ 370.08875 193.8
[M+K]+ 391.01809 184.3
[M+H-H2O]+ 335.05219 170.8
[M+HCOO]- 397.05313 195.7
[M+CH3COO]- 411.06878 191.9
[M+Na-2H]- 373.02960 178.9
[M]+ 352.05438 184.6
[M]- 352.05548 184.6
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.