CID 6435480
Brn 5578221
Structural Information
- Molecular Formula
- C11H15N3O3S
- SMILES
- CCCCC1=NN=C(S1)NC(=O)/C=C/C(=O)OC
- InChI
- InChI=1S/C11H15N3O3S/c1-3-4-5-9-13-14-11(18-9)12-8(15)6-7-10(16)17-2/h6-7H,3-5H2,1-2H3,(H,12,14,15)/b7-6+
- InChIKey
- XWSKZGVVNPFENW-VOTSOKGWSA-N
- Compound name
- methyl (E)-4-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobut-2-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 270.09068 | 163.3 |
[M+Na]+ | 292.07262 | 170.8 |
[M+NH4]+ | 287.11722 | 168.1 |
[M+K]+ | 308.04656 | 166.4 |
[M-H]- | 268.07612 | 161.7 |
[M+Na-2H]- | 290.05807 | 164.8 |
[M]+ | 269.08285 | 163.8 |
[M]- | 269.08395 | 163.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.