CID 6436893
N 745
Structural Information
- Molecular Formula
- C21H23ClN2S
- SMILES
- C1CN(CCN1)CCC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
- InChI
- InChI=1S/C21H23ClN2S/c22-16-8-9-21-19(15-16)17(18-6-1-2-7-20(18)25-21)5-3-4-12-24-13-10-23-11-14-24/h1-2,5-9,15,23H,3-4,10-14H2/b17-5+
- InChIKey
- GFAPUYYPOAKJND-YAXRCOADSA-N
- Compound name
- 1-[(4E)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.13432 | 184.1 |
[M+Na]+ | 393.11626 | 190.1 |
[M-H]- | 369.11976 | 186.3 |
[M+NH4]+ | 388.16086 | 196.2 |
[M+K]+ | 409.09020 | 180.4 |
[M+H-H2O]+ | 353.12430 | 175.2 |
[M+HCOO]- | 415.12524 | 186.6 |
[M+CH3COO]- | 429.14089 | 191.3 |
[M+Na-2H]- | 391.10171 | 185.4 |
[M]+ | 370.12649 | 181.4 |
[M]- | 370.12759 | 181.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.