CID 3078015
1,2,4-triazolo(3',4':2,3)(1,3,4)thiadiazepino(7,6-b)quinoline, 3-(4-methoxyphenyl)-9-methyl-
Structural Information
- Molecular Formula
- C20H15N5OS
- SMILES
- CC1=CC2=CC3=C(N=C2C=C1)SC4=NN=C(N4N=C3)C5=CC=C(C=C5)OC
- InChI
- InChI=1S/C20H15N5OS/c1-12-3-8-17-14(9-12)10-15-11-21-25-18(13-4-6-16(26-2)7-5-13)23-24-20(25)27-19(15)22-17/h3-11H,1-2H3
- InChIKey
- HRMCRIJUIYRVJY-UHFFFAOYSA-N
- Compound name
- 6-(4-methoxyphenyl)-14-methyl-2-thia-4,5,7,8,18-pentazatetracyclo[8.8.0.03,7.012,17]octadeca-1(10),3,5,8,11,13,15,17-octaene
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 374.10701 | 191.7 |
[M+Na]+ | 396.08895 | 205.2 |
[M-H]- | 372.09245 | 197.7 |
[M+NH4]+ | 391.13355 | 202.6 |
[M+K]+ | 412.06289 | 201.0 |
[M+H-H2O]+ | 356.09699 | 181.5 |
[M+HCOO]- | 418.09793 | 204.2 |
[M+CH3COO]- | 432.11358 | 201.6 |
[M+Na-2H]- | 394.07440 | 195.9 |
[M]+ | 373.09918 | 196.1 |
[M]- | 373.10028 | 196.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.