CID 3074200
7-(2-(9-adeninyl)ethyloxy)-4-methylbenzopyran-2-one
Structural Information
- Molecular Formula
- C17H15N5O3
- SMILES
- CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3C=NC4=C(N=CN=C43)N
- InChI
- InChI=1S/C17H15N5O3/c1-10-6-14(23)25-13-7-11(2-3-12(10)13)24-5-4-22-9-21-15-16(18)19-8-20-17(15)22/h2-3,6-9H,4-5H2,1H3,(H2,18,19,20)
- InChIKey
- IUEOQCOSHBIKAF-UHFFFAOYSA-N
- Compound name
- 7-[2-(6-aminopurin-9-yl)ethoxy]-4-methylchromen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.12478 | 179.2 |
[M+Na]+ | 360.10672 | 191.8 |
[M-H]- | 336.11022 | 184.3 |
[M+NH4]+ | 355.15132 | 189.6 |
[M+K]+ | 376.08066 | 186.6 |
[M+H-H2O]+ | 320.11476 | 168.5 |
[M+HCOO]- | 382.11570 | 198.7 |
[M+CH3COO]- | 396.13135 | 190.4 |
[M+Na-2H]- | 358.09217 | 185.7 |
[M]+ | 337.11695 | 185.3 |
[M]- | 337.11805 | 185.3 |