CID 16125597

Akos024436278

Structural Information

Molecular Formula
C23H19N3S2
SMILES
CC1=CC=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=CC=C4)C5=CC=CS5
InChI
InChI=1S/C23H19N3S2/c1-16-9-11-18(12-10-16)21-14-19(22-8-5-13-27-22)25-26(21)23-24-20(15-28-23)17-6-3-2-4-7-17/h2-13,15,21H,14H2,1H3
InChIKey
UJQJZJGNMVAMBH-UHFFFAOYSA-N
Compound name
2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.10205 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10933 192.6
[M+Na]+ 424.09127 205.8
[M-H]- 400.09477 207.4
[M+NH4]+ 419.13587 206.9
[M+K]+ 440.06521 198.3
[M+H-H2O]+ 384.09931 185.8
[M+HCOO]- 446.10025 208.0
[M+CH3COO]- 460.11590 204.4
[M+Na-2H]- 422.07672 186.5
[M]+ 401.10150 197.5
[M]- 401.10260 197.5
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.