CID 44145670
Niosh/es2420000
Structural Information
- Molecular Formula
- C24H32N6O3S2
- SMILES
- CCOCC/C(=N\NC(=S)NCC1=CC=C(C=C1)OC)/C=N/NC(=S)NCC2=CC=C(C=C2)OC
- InChI
- InChI=1S/C24H32N6O3S2/c1-4-33-14-13-20(28-30-24(35)26-16-19-7-11-22(32-3)12-8-19)17-27-29-23(34)25-15-18-5-9-21(31-2)10-6-18/h5-12,17H,4,13-16H2,1-3H3,(H2,25,29,34)(H2,26,30,35)/b27-17+,28-20+
- InChIKey
- BJIJTSWTVUDRAC-JUZHGAENSA-N
- Compound name
- 1-[(E)-[(1E)-4-ethoxy-1-[(4-methoxyphenyl)methylcarbamothioylhydrazinylidene]butan-2-ylidene]amino]-3-[(4-methoxyphenyl)methyl]thiourea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 517.20503 | 219.1 |
[M+Na]+ | 539.18697 | 218.1 |
[M-H]- | 515.19047 | 224.9 |
[M+NH4]+ | 534.23157 | 224.5 |
[M+K]+ | 555.16091 | 212.1 |
[M+H-H2O]+ | 499.19501 | 206.9 |
[M+HCOO]- | 561.19595 | 235.3 |
[M+CH3COO]- | 575.21160 | 257.9 |
[M+Na-2H]- | 537.17242 | 220.1 |
[M]+ | 516.19720 | 222.9 |
[M]- | 516.19830 | 222.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.