CID 135472531
1-phenyl-3-(pyrrol-2-ylidenemethylamino)urea
Structural Information
- Molecular Formula
- C12H12N4O
- SMILES
- C1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CN2
- InChI
- InChI=1S/C12H12N4O/c17-12(15-10-5-2-1-3-6-10)16-14-9-11-7-4-8-13-11/h1-9,13H,(H2,15,16,17)/b14-9+
- InChIKey
- NWTYISUZWFHEEV-NTEUORMPSA-N
- Compound name
- 1-phenyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 229.10838 | 148.2 |
[M+Na]+ | 251.09032 | 153.3 |
[M-H]- | 227.09382 | 153.5 |
[M+NH4]+ | 246.13492 | 165.1 |
[M+K]+ | 267.06426 | 149.7 |
[M+H-H2O]+ | 211.09836 | 139.4 |
[M+HCOO]- | 273.09930 | 175.5 |
[M+CH3COO]- | 287.11495 | 192.7 |
[M+Na-2H]- | 249.07577 | 155.2 |
[M]+ | 228.10055 | 144.9 |
[M]- | 228.10165 | 144.9 |
Literature stripe
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