CID 6751
Diacetazotol
Structural Information
- Molecular Formula
- C18H19N3O2
- SMILES
- CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N(C(=O)C)C(=O)C)C
- InChI
- InChI=1S/C18H19N3O2/c1-12-7-5-6-8-17(12)20-19-16-9-10-18(13(2)11-16)21(14(3)22)15(4)23/h5-11H,1-4H3
- InChIKey
- YIEDSISPYKQADU-UHFFFAOYSA-N
- Compound name
- N-acetyl-N-[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 310.15502 | 174.2 |
[M+Na]+ | 332.13696 | 186.3 |
[M+NH4]+ | 327.18156 | 181.3 |
[M+K]+ | 348.11090 | 179.7 |
[M-H]- | 308.14046 | 180.2 |
[M+Na-2H]- | 330.12241 | 182.7 |
[M]+ | 309.14719 | 177.4 |
[M]- | 309.14829 | 177.4 |