CID 53212
75231-25-3
Structural Information
- Molecular Formula
- C16H25N3O5
- SMILES
- COC1=CC(=CC(=C1OC)OC)C(=O)OCCCCCN=C(N)N
- InChI
- InChI=1S/C16H25N3O5/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18/h9-10H,4-8H2,1-3H3,(H4,17,18,19)
- InChIKey
- JYINLGHQJFVGAF-UHFFFAOYSA-N
- Compound name
- 5-(diaminomethylideneamino)pentyl 3,4,5-trimethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 340.18668 | 180.2 |
[M+Na]+ | 362.16862 | 184.7 |
[M-H]- | 338.17212 | 183.8 |
[M+NH4]+ | 357.21322 | 193.1 |
[M+K]+ | 378.14256 | 184.3 |
[M+H-H2O]+ | 322.17666 | 171.4 |
[M+HCOO]- | 384.17760 | 205.0 |
[M+CH3COO]- | 398.19325 | 221.8 |
[M+Na-2H]- | 360.15407 | 179.6 |
[M]+ | 339.17885 | 185.5 |
[M]- | 339.17995 | 185.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.