CID 464569
Nevirapin 2,4-disubstituted deriv. 13b
Structural Information
- Molecular Formula
- C28H26N4O3
- SMILES
- CCN1C2=C(C=CC=N2)C(=O)NC3=C1N=C(C=C3COCC4=CC=CC=C4)C5=CC(=CC=C5)OC
- InChI
- InChI=1S/C28H26N4O3/c1-3-32-26-23(13-8-14-29-26)28(33)31-25-21(18-35-17-19-9-5-4-6-10-19)16-24(30-27(25)32)20-11-7-12-22(15-20)34-2/h4-16H,3,17-18H2,1-2H3,(H,31,33)
- InChIKey
- CCZHKUFGPAZRPI-UHFFFAOYSA-N
- Compound name
- 2-ethyl-5-(3-methoxyphenyl)-7-(phenylmethoxymethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 467.20778 | 221.8 |
[M+Na]+ | 489.18972 | 229.3 |
[M-H]- | 465.19322 | 227.6 |
[M+NH4]+ | 484.23432 | 225.2 |
[M+K]+ | 505.16366 | 225.5 |
[M+H-H2O]+ | 449.19776 | 208.1 |
[M+HCOO]- | 511.19870 | 233.6 |
[M+CH3COO]- | 525.21435 | 227.6 |
[M+Na-2H]- | 487.17517 | 224.2 |
[M]+ | 466.19995 | 221.2 |
[M]- | 466.20105 | 221.2 |
Literature stripe
Patent stripe
No patent data available for this compound.