CID 16125598

Akos024436282

Structural Information

Molecular Formula
C24H21N3OS2
SMILES
CC1=CC=C(C=C1)C2CC(=NN2C3=NC(=CS3)C4=CC=C(C=C4)OC)C5=CC=CS5
InChI
InChI=1S/C24H21N3OS2/c1-16-5-7-18(8-6-16)22-14-20(23-4-3-13-29-23)26-27(22)24-25-21(15-30-24)17-9-11-19(28-2)12-10-17/h3-13,15,22H,14H2,1-2H3
InChIKey
UKKWIFMXKCDHBR-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-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

431.1126 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.11988 200.5
[M+Na]+ 454.10182 213.5
[M-H]- 430.10532 215.5
[M+NH4]+ 449.14642 213.7
[M+K]+ 470.07576 206.4
[M+H-H2O]+ 414.10986 193.7
[M+HCOO]- 476.11080 215.6
[M+CH3COO]- 490.12645 211.9
[M+Na-2H]- 452.08727 193.6
[M]+ 431.11205 207.3
[M]- 431.11315 207.3
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.