CID 6507214
Brn 3445444
Structural Information
- Molecular Formula
- C15H21N3O4
- SMILES
- COC1=C(C(=C2C/C(=N\NC(=O)N)/CCCC2=C1)OC)OC
- InChI
- InChI=1S/C15H21N3O4/c1-20-12-7-9-5-4-6-10(17-18-15(16)19)8-11(9)13(21-2)14(12)22-3/h7H,4-6,8H2,1-3H3,(H3,16,18,19)/b17-10-
- InChIKey
- BSBRGZWHQQHCFV-YVLHZVERSA-N
- Compound name
- [(Z)-(2,3,4-trimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 308.16048 | 167.4 |
[M+Na]+ | 330.14242 | 171.6 |
[M-H]- | 306.14592 | 173.9 |
[M+NH4]+ | 325.18702 | 182.3 |
[M+K]+ | 346.11636 | 176.2 |
[M+H-H2O]+ | 290.15046 | 160.4 |
[M+HCOO]- | 352.15140 | 190.2 |
[M+CH3COO]- | 366.16705 | 215.6 |
[M+Na-2H]- | 328.12787 | 170.3 |
[M]+ | 307.15265 | 166.1 |
[M]- | 307.15375 | 166.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.