CID 102515481
4'-methoxycyclopeptin
Structural Information
- Molecular Formula
- C18H18N2O3
- SMILES
- CN1C(C(=O)NC2=CC=CC=C2C1=O)CC3=CC=C(C=C3)OC
- InChI
- InChI=1S/C18H18N2O3/c1-20-16(11-12-7-9-13(23-2)10-8-12)17(21)19-15-6-4-3-5-14(15)18(20)22/h3-10,16H,11H2,1-2H3,(H,19,21)
- InChIKey
- UOYDZPKQPOLDIR-UHFFFAOYSA-N
- Compound name
- 3-[(4-methoxyphenyl)methyl]-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 311.13902 | 172.1 |
[M+Na]+ | 333.12096 | 179.6 |
[M-H]- | 309.12446 | 177.2 |
[M+NH4]+ | 328.16556 | 184.0 |
[M+K]+ | 349.09490 | 179.1 |
[M+H-H2O]+ | 293.12900 | 163.7 |
[M+HCOO]- | 355.12994 | 188.4 |
[M+CH3COO]- | 369.14559 | 182.1 |
[M+Na-2H]- | 331.10641 | 174.9 |
[M]+ | 310.13119 | 169.5 |
[M]- | 310.13229 | 169.5 |
Literature stripe
Patent stripe
No patent data available for this compound.