CID 9651326
N'-[(e)-9-anthrylmethylidene]-2-{[5-(4-bromophenyl)-4-phenyl-4h-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Structural Information
- Molecular Formula
- C31H22BrN5OS
- SMILES
- C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)C6=CC=C(C=C6)Br
- InChI
- InChI=1S/C31H22BrN5OS/c32-24-16-14-21(15-17-24)30-35-36-31(37(30)25-10-2-1-3-11-25)39-20-29(38)34-33-19-28-26-12-6-4-8-22(26)18-23-9-5-7-13-27(23)28/h1-19H,20H2,(H,34,38)/b33-19+
- InChIKey
- KFJRTEAJHBHTLT-HNSNBQBZSA-N
- Compound name
- N-[(E)-anthracen-9-ylmethylideneamino]-2-[[5-(4-bromophenyl)-4-phenyl-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]+ | 592.08008 | 224.3 |
[M+Na]+ | 614.06202 | 234.7 |
[M-H]- | 590.06552 | 237.9 |
[M+NH4]+ | 609.10662 | 231.4 |
[M+K]+ | 630.03596 | 219.9 |
[M+H-H2O]+ | 574.07006 | 219.6 |
[M+HCOO]- | 636.07100 | 239.0 |
[M+CH3COO]- | 650.08665 | 233.2 |
[M+Na-2H]- | 612.04747 | 229.1 |
[M]+ | 591.07225 | 246.3 |
[M]- | 591.07335 | 246.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.