CID 6435479
Brn 5578208
Structural Information
- Molecular Formula
- C11H15N3O3S
- SMILES
- CC(C)CC1=NN=C(S1)NC(=O)/C=C/C(=O)OC
- InChI
- InChI=1S/C11H15N3O3S/c1-7(2)6-9-13-14-11(18-9)12-8(15)4-5-10(16)17-3/h4-5,7H,6H2,1-3H3,(H,12,14,15)/b5-4+
- InChIKey
- XVMAYQRYXFVRFM-SNAWJCMRSA-N
- Compound name
- methyl (E)-4-[[5-(2-methylpropyl)-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 | 163.0 |
[M+Na]+ | 292.07262 | 170.1 |
[M+NH4]+ | 287.11722 | 167.7 |
[M+K]+ | 308.04656 | 166.6 |
[M-H]- | 268.07612 | 161.2 |
[M+Na-2H]- | 290.05807 | 164.2 |
[M]+ | 269.08285 | 163.3 |
[M]- | 269.08395 | 163.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.