CID 3857922
606962-65-6
Structural Information
- Molecular Formula
- C23H24N4O4S
- SMILES
- CCOCCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=CC4=N2
- InChI
- InChI=1S/C23H24N4O4S/c1-3-31-14-6-13-27-21(24)19(32(29,30)17-10-8-16(2)9-11-17)15-18-22(27)25-20-7-4-5-12-26(20)23(18)28/h4-5,7-12,15,24H,3,6,13-14H2,1-2H3
- InChIKey
- UOKLDHZYTBBRNX-UHFFFAOYSA-N
- Compound name
- 7-(3-ethoxypropyl)-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 453.15910 | 210.2 |
[M+Na]+ | 475.14104 | 221.2 |
[M-H]- | 451.14454 | 215.4 |
[M+NH4]+ | 470.18564 | 217.3 |
[M+K]+ | 491.11498 | 213.4 |
[M+H-H2O]+ | 435.14908 | 199.4 |
[M+HCOO]- | 497.15002 | 223.6 |
[M+CH3COO]- | 511.16567 | 234.1 |
[M+Na-2H]- | 473.12649 | 216.1 |
[M]+ | 452.15127 | 218.3 |
[M]- | 452.15237 | 218.3 |
Literature stripe
Patent stripe
No patent data available for this compound.