CID 113251
Einecs 264-224-2
Structural Information
- Molecular Formula
- C18H17Cl2N5O2
- SMILES
- CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl)C
- InChI
- InChI=1S/C18H17Cl2N5O2/c1-3-24(8-4-7-21)13-5-6-17(12(2)9-13)22-23-18-15(19)10-14(25(26)27)11-16(18)20/h5-6,9-11H,3-4,8H2,1-2H3
- InChIKey
- GXWKYWHBRDHRFJ-UHFFFAOYSA-N
- Compound name
- 3-[4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methylanilino]propanenitrile
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 406.08321 | 205.3 |
[M+Na]+ | 428.06515 | 213.8 |
[M-H]- | 404.06865 | 212.3 |
[M+NH4]+ | 423.10975 | 216.0 |
[M+K]+ | 444.03909 | 204.6 |
[M+H-H2O]+ | 388.07319 | 194.9 |
[M+HCOO]- | 450.07413 | 221.6 |
[M+CH3COO]- | 464.08978 | 238.2 |
[M+Na-2H]- | 426.05060 | 206.2 |
[M]+ | 405.07538 | 205.5 |
[M]- | 405.07648 | 205.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.