CID 73749
Disperse red 354
Structural Information
- Molecular Formula
- C22H24ClN5O7
- SMILES
- CC(=O)NC1=C(C=CC(=C1)N(CCOC(=O)C)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
- InChI
- InChI=1S/C22H24ClN5O7/c1-14(29)24-22-13-17(27(8-10-34-15(2)30)9-11-35-16(3)31)4-7-21(22)26-25-20-6-5-18(28(32)33)12-19(20)23/h4-7,12-13H,8-11H2,1-3H3,(H,24,29)
- InChIKey
- ORDDDNUMJXPGOC-UHFFFAOYSA-N
- Compound name
- 2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-chloro-4-nitrophenyl)diazenyl]anilino]ethyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 506.14368 | 218.3 |
[M+Na]+ | 528.12562 | 220.2 |
[M-H]- | 504.12912 | 228.0 |
[M+NH4]+ | 523.17022 | 224.9 |
[M+K]+ | 544.09956 | 216.0 |
[M+H-H2O]+ | 488.13366 | 212.5 |
[M+HCOO]- | 550.13460 | 242.2 |
[M+CH3COO]- | 564.15025 | 249.9 |
[M+Na-2H]- | 526.11107 | 219.7 |
[M]+ | 505.13585 | 226.3 |
[M]- | 505.13695 | 226.3 |
Literature stripe
No literature data available for this compound.