CID 5823134
618081-52-0
Structural Information
- Molecular Formula
- C20H23BrN2O3S2
- SMILES
- CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCOC)/C1=O
- InChI
- InChI=1S/C20H23BrN2O3S2/c1-3-4-5-9-22-15-8-7-13(21)12-14(15)16(18(22)24)17-19(25)23(20(27)28-17)10-6-11-26-2/h7-8,12H,3-6,9-11H2,1-2H3/b17-16-
- InChIKey
- LHYJKBVHTNFAMN-MSUUIHNZSA-N
- Compound name
- (5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 483.04064 | 192.7 |
[M+Na]+ | 505.02258 | 205.9 |
[M-H]- | 481.02608 | 200.6 |
[M+NH4]+ | 500.06718 | 208.8 |
[M+K]+ | 520.99652 | 191.4 |
[M+H-H2O]+ | 465.03062 | 194.2 |
[M+HCOO]- | 527.03156 | 199.9 |
[M+CH3COO]- | 541.04721 | 228.9 |
[M+Na-2H]- | 503.00803 | 187.9 |
[M]+ | 482.03281 | 217.2 |
[M]- | 482.03391 | 217.2 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.