CID 3703412
618432-51-2
Structural Information
- Molecular Formula
- C24H21Br2N5O2S
- SMILES
- CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3Br)C)Br)C4=CN=CC=C4
- InChI
- InChI=1S/C24H21Br2N5O2S/c1-3-33-18-8-6-17(7-9-18)31-23(16-5-4-10-27-13-16)29-30-24(31)34-14-21(32)28-22-19(25)11-15(2)12-20(22)26/h4-13H,3,14H2,1-2H3,(H,28,32)
- InChIKey
- HBKPNZCALCQFPT-UHFFFAOYSA-N
- Compound name
- N-(2,6-dibromo-4-methylphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 601.98558 | 188.5 |
[M+Na]+ | 623.96752 | 198.3 |
[M-H]- | 599.97102 | 199.0 |
[M+NH4]+ | 619.01212 | 195.8 |
[M+K]+ | 639.94146 | 182.1 |
[M+H-H2O]+ | 583.97556 | 194.6 |
[M+HCOO]- | 645.97650 | 198.2 |
[M+CH3COO]- | 659.99215 | 198.7 |
[M+Na-2H]- | 621.95297 | 190.5 |
[M]+ | 600.97775 | 226.4 |
[M]- | 600.97885 | 226.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.