CID 51060600
881839-98-1
Structural Information
- Molecular Formula
- C26H22FN5O3
- SMILES
- COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4
- InChI
- InChI=1S/C26H22FN5O3/c1-35-23-13-9-19(10-14-23)26(34)28-16-24(33)30-29-15-20-17-32(22-5-3-2-4-6-22)31-25(20)18-7-11-21(27)12-8-18/h2-15,17H,16H2,1H3,(H,28,34)(H,30,33)/b29-15+
- InChIKey
- AKQFANOFXKCOQF-WKULSOCRSA-N
- Compound name
- N-[2-[(2E)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 472.17793 | 211.3 |
[M+Na]+ | 494.15987 | 216.0 |
[M-H]- | 470.16337 | 221.7 |
[M+NH4]+ | 489.20447 | 216.9 |
[M+K]+ | 510.13381 | 210.0 |
[M+H-H2O]+ | 454.16791 | 197.4 |
[M+HCOO]- | 516.16885 | 234.6 |
[M+CH3COO]- | 530.18450 | 243.3 |
[M+Na-2H]- | 492.14532 | 212.2 |
[M]+ | 471.17010 | 211.9 |
[M]- | 471.17120 | 211.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.