CID 135612684
143658-86-0
Structural Information
- Molecular Formula
- C22H16ClN5OS
- SMILES
- CC1=NC(=C(N1C2=NN=C(S2)CCl)O)/C=C/3\C4=CC=CC=C4N=C3C5=CC=CC=C5
- InChI
- InChI=1S/C22H16ClN5OS/c1-13-24-18(21(29)28(13)22-27-26-19(12-23)30-22)11-16-15-9-5-6-10-17(15)25-20(16)14-7-3-2-4-8-14/h2-11,29H,12H2,1H3/b16-11+
- InChIKey
- JVKNGZPZFATYCR-LFIBNONCSA-N
- Compound name
- 3-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-[(E)-(2-phenylindol-3-ylidene)methyl]imidazol-4-ol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.08370 | 202.7 |
[M+Na]+ | 456.06564 | 217.2 |
[M-H]- | 432.06914 | 212.3 |
[M+NH4]+ | 451.11024 | 213.8 |
[M+K]+ | 472.03958 | 208.2 |
[M+H-H2O]+ | 416.07368 | 194.0 |
[M+HCOO]- | 478.07462 | 213.9 |
[M+CH3COO]- | 492.09027 | 213.0 |
[M+Na-2H]- | 454.05109 | 197.2 |
[M]+ | 433.07587 | 210.7 |
[M]- | 433.07697 | 210.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.