CID 303031
1,1-diethyl-3-(3-nitrophenyl)urea
Structural Information
- Molecular Formula
- C11H15N3O3
- SMILES
- CCN(CC)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-]
- InChI
- InChI=1S/C11H15N3O3/c1-3-13(4-2)11(15)12-9-6-5-7-10(8-9)14(16)17/h5-8H,3-4H2,1-2H3,(H,12,15)
- InChIKey
- MGLQHMGZCTZIJT-UHFFFAOYSA-N
- Compound name
- 1,1-diethyl-3-(3-nitrophenyl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 238.11862 | 151.9 |
[M+Na]+ | 260.10056 | 162.3 |
[M+NH4]+ | 255.14516 | 158.8 |
[M+K]+ | 276.07450 | 160.0 |
[M-H]- | 236.10406 | 155.5 |
[M+Na-2H]- | 258.08601 | 157.3 |
[M]+ | 237.11079 | 154.0 |
[M]- | 237.11189 | 154.0 |
Literature stripe
Patent stripe
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