CID 9554696
9es58kv6yb
Structural Information
- Molecular Formula
- C17H19ClN2O2S
- SMILES
- CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C
- InChI
- InChI=1S/C17H19ClN2O2S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4/h5-10H,1-4H3,(H,20,23)/b19-10+
- InChIKey
- PLGIIOKXCKDKEU-VXLYETTFSA-N
- Compound name
- N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 351.09285 | 186.1 |
[M+Na]+ | 373.07479 | 194.5 |
[M-H]- | 349.07829 | 195.5 |
[M+NH4]+ | 368.11939 | 201.8 |
[M+K]+ | 389.04873 | 190.0 |
[M+H-H2O]+ | 333.08283 | 179.7 |
[M+HCOO]- | 395.08377 | 201.3 |
[M+CH3COO]- | 409.09942 | 215.7 |
[M+Na-2H]- | 371.06024 | 186.5 |
[M]+ | 350.08502 | 193.5 |
[M]- | 350.08612 | 193.5 |