CID 3151309
510761-00-9
Structural Information
- Molecular Formula
- C21H23N5O3
- SMILES
- CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCC=C
- InChI
- InChI=1S/C21H23N5O3/c1-3-8-23-20(27)15-11-16-19(26(17(15)22)12-14-7-5-10-29-14)24-18-13(2)6-4-9-25(18)21(16)28/h3-4,6,9,11,14,22H,1,5,7-8,10,12H2,2H3,(H,23,27)
- InChIKey
- RBRXSOQZFBBJOM-UHFFFAOYSA-N
- Compound name
- 6-imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-N-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 394.18736 | 195.8 |
[M+Na]+ | 416.16930 | 205.0 |
[M-H]- | 392.17280 | 201.7 |
[M+NH4]+ | 411.21390 | 205.1 |
[M+K]+ | 432.14324 | 199.0 |
[M+H-H2O]+ | 376.17734 | 185.4 |
[M+HCOO]- | 438.17828 | 213.6 |
[M+CH3COO]- | 452.19393 | 204.9 |
[M+Na-2H]- | 414.15475 | 198.4 |
[M]+ | 393.17953 | 198.0 |
[M]- | 393.18063 | 198.0 |
Literature stripe
Patent stripe
No patent data available for this compound.