CID 3008770
3-(5-bromo-2-thienyl)-1-phenyl-4-[5-(p-tolyl)-2-(p-tolylsulfonyl)-3,4-dihydropyrazol-3-yl]pyrazole
Structural Information
- Molecular Formula
- C30H25BrN4O2S2
- SMILES
- CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=C(S4)Br)C5=CC=CC=C5)S(=O)(=O)C6=CC=C(C=C6)C
- InChI
- InChI=1S/C30H25BrN4O2S2/c1-20-8-12-22(13-9-20)26-18-27(35(32-26)39(36,37)24-14-10-21(2)11-15-24)25-19-34(23-6-4-3-5-7-23)33-30(25)28-16-17-29(31)38-28/h3-17,19,27H,18H2,1-2H3
- InChIKey
- HSYANUOEMPIZIQ-UHFFFAOYSA-N
- Compound name
- 3-(5-bromothiophen-2-yl)-4-[5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydropyrazol-3-yl]-1-phenylpyrazole
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 617.06752 | 223.3 |
[M+Na]+ | 639.04946 | 238.7 |
[M-H]- | 615.05296 | 242.3 |
[M+NH4]+ | 634.09406 | 232.2 |
[M+K]+ | 655.02340 | 225.9 |
[M+H-H2O]+ | 599.05750 | 224.5 |
[M+HCOO]- | 661.05844 | 234.4 |
[M+CH3COO]- | 675.07409 | 234.6 |
[M+Na-2H]- | 637.03491 | 219.1 |
[M]+ | 616.05969 | 247.4 |
[M]- | 616.06079 | 247.4 |
Literature stripe
Patent stripe
No patent data available for this compound.