CID 213043
Iclaprim
Structural Information
- Molecular Formula
- C19H22N4O3
- SMILES
- COC1=C(C2=C(C=CC(O2)C3CC3)C(=C1)CC4=CN=C(N=C4N)N)OC
- InChI
- InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)
- InChIKey
- HWJPWWYTGBZDEG-UHFFFAOYSA-N
- Compound name
- 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 355.17648 | 189.1 |
[M+Na]+ | 377.15842 | 199.4 |
[M-H]- | 353.16192 | 197.7 |
[M+NH4]+ | 372.20302 | 194.0 |
[M+K]+ | 393.13236 | 194.0 |
[M+H-H2O]+ | 337.16646 | 179.1 |
[M+HCOO]- | 399.16740 | 208.1 |
[M+CH3COO]- | 413.18305 | 198.6 |
[M+Na-2H]- | 375.14387 | 191.9 |
[M]+ | 354.16865 | 193.3 |
[M]- | 354.16975 | 193.3 |