CID 5494506
Inauhzin
Structural Information
- Molecular Formula
- C25H19N5OS2
- SMILES
- CCC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)SC4=NC5=C(C6=CC=CC=C6N5)N=N4
- InChI
- InChI=1S/C25H19N5OS2/c1-2-19(33-25-27-23-22(28-29-25)15-9-3-4-10-16(15)26-23)24(31)30-17-11-5-7-13-20(17)32-21-14-8-6-12-18(21)30/h3-14,19H,2H2,1H3,(H,26,27,29)
- InChIKey
- VHUOXERIKQWIJE-UHFFFAOYSA-N
- Compound name
- 1-phenothiazin-10-yl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.11038 | 200.0 |
[M+Na]+ | 492.09232 | 210.5 |
[M-H]- | 468.09582 | 202.2 |
[M+NH4]+ | 487.13692 | 207.5 |
[M+K]+ | 508.06626 | 200.9 |
[M+H-H2O]+ | 452.10036 | 191.9 |
[M+HCOO]- | 514.10130 | 201.8 |
[M+CH3COO]- | 528.11695 | 206.7 |
[M+Na-2H]- | 490.07777 | 204.1 |
[M]+ | 469.10255 | 204.3 |
[M]- | 469.10365 | 204.3 |