CID 9589541
119033-99-7
Structural Information
- Molecular Formula
- C13H13ClN4O
- SMILES
- CN1C=CC=C1/C=N/NC(=O)NC2=CC(=CC=C2)Cl
- InChI
- InChI=1S/C13H13ClN4O/c1-18-7-3-6-12(18)9-15-17-13(19)16-11-5-2-4-10(14)8-11/h2-9H,1H3,(H2,16,17,19)/b15-9+
- InChIKey
- RGKYEMLJECEMKL-OQLLNIDSSA-N
- Compound name
- 1-(3-chlorophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 277.08508 | 163.0 |
[M+Na]+ | 299.06702 | 170.7 |
[M-H]- | 275.07052 | 170.0 |
[M+NH4]+ | 294.11162 | 180.2 |
[M+K]+ | 315.04096 | 165.9 |
[M+H-H2O]+ | 259.07506 | 154.7 |
[M+HCOO]- | 321.07600 | 186.7 |
[M+CH3COO]- | 335.09165 | 204.2 |
[M+Na-2H]- | 297.05247 | 167.6 |
[M]+ | 276.07725 | 164.8 |
[M]- | 276.07835 | 164.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.