CID 9570974
101858-16-6
Structural Information
- Molecular Formula
- C13H21N5O4
- SMILES
- CCN(CC)CCCNC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
- InChI
- InChI=1S/C13H21N5O4/c1-3-17(4-2)9-5-8-14-13(19)16-15-10-11-6-7-12(22-11)18(20)21/h6-7,10H,3-5,8-9H2,1-2H3,(H2,14,16,19)/b15-10+
- InChIKey
- PCJJYLQECJTKOW-XNTDXEJSSA-N
- Compound name
- 1-[3-(diethylamino)propyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 312.16664 | 173.4 |
[M+Na]+ | 334.14858 | 175.5 |
[M-H]- | 310.15208 | 179.5 |
[M+NH4]+ | 329.19318 | 187.2 |
[M+K]+ | 350.12252 | 172.4 |
[M+H-H2O]+ | 294.15662 | 168.8 |
[M+HCOO]- | 356.15756 | 202.8 |
[M+CH3COO]- | 370.17321 | 212.7 |
[M+Na-2H]- | 332.13403 | 179.1 |
[M]+ | 311.15881 | 175.1 |
[M]- | 311.15991 | 175.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.