CID 1077431
371128-31-3
Structural Information
- Molecular Formula
- C26H22N6O2
- SMILES
- C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5
- InChI
- InChI=1S/C26H22N6O2/c27-23-20(25(33)29-13-11-18-7-2-1-3-8-18)15-21-24(32(23)17-19-9-6-12-28-16-19)30-22-10-4-5-14-31(22)26(21)34/h1-10,12,14-16,27H,11,13,17H2,(H,29,33)
- InChIKey
- YNAIFHVTEKAYTQ-UHFFFAOYSA-N
- Compound name
- 6-imino-2-oxo-N-(2-phenylethyl)-7-(pyridin-3-ylmethyl)-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]+ | 451.18770 | 210.0 |
[M+Na]+ | 473.16964 | 218.6 |
[M-H]- | 449.17314 | 216.3 |
[M+NH4]+ | 468.21424 | 213.7 |
[M+K]+ | 489.14358 | 209.0 |
[M+H-H2O]+ | 433.17768 | 195.6 |
[M+HCOO]- | 495.17862 | 227.8 |
[M+CH3COO]- | 509.19427 | 217.0 |
[M+Na-2H]- | 471.15509 | 218.1 |
[M]+ | 450.17987 | 211.2 |
[M]- | 450.18097 | 211.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.