CID 3733770
476480-16-7
Structural Information
- Molecular Formula
- C26H25N5O2
- SMILES
- CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)CC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54
- InChI
- InChI=1S/C26H25N5O2/c1-28(16-18-10-5-4-6-11-18)25-27-23-22(24(32)30(3)26(33)29(23)2)31(25)17-20-14-9-13-19-12-7-8-15-21(19)20/h4-15H,16-17H2,1-3H3
- InChIKey
- YTJCYWFKGYUNQX-UHFFFAOYSA-N
- Compound name
- 8-[benzyl(methyl)amino]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 440.20812 | 211.8 |
[M+Na]+ | 462.19006 | 223.0 |
[M-H]- | 438.19356 | 220.7 |
[M+NH4]+ | 457.23466 | 219.6 |
[M+K]+ | 478.16400 | 214.9 |
[M+H-H2O]+ | 422.19810 | 198.5 |
[M+HCOO]- | 484.19904 | 230.8 |
[M+CH3COO]- | 498.21469 | 220.8 |
[M+Na-2H]- | 460.17551 | 213.9 |
[M]+ | 439.20029 | 217.9 |
[M]- | 439.20139 | 217.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.