CID 16125654

Akos024436281

Structural Information

Molecular Formula
C24H21N3S2
SMILES
CC1=CC=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=C(C=C4)C)C5=CC=CS5
InChI
InChI=1S/C24H21N3S2/c1-16-5-9-18(10-6-16)21-15-29-24(25-21)27-22(19-11-7-17(2)8-12-19)14-20(26-27)23-4-3-13-28-23/h3-13,15,22H,14H2,1-2H3
InChIKey
AELMIOASZLIZIP-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.11768 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12496 197.1
[M+Na]+ 438.10690 210.6
[M-H]- 414.11040 212.1
[M+NH4]+ 433.15150 211.1
[M+K]+ 454.08084 202.8
[M+H-H2O]+ 398.11494 190.4
[M+HCOO]- 460.11588 212.1
[M+CH3COO]- 474.13153 208.8
[M+Na-2H]- 436.09235 190.0
[M]+ 415.11713 202.8
[M]- 415.11823 202.8
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.