CID 3052737
Vufb-10506
Structural Information
- Molecular Formula
- C16H17ClN2S
- SMILES
- C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)NCCN
- InChI
- InChI=1S/C16H17ClN2S/c17-12-5-6-16-13(10-12)14(19-8-7-18)9-11-3-1-2-4-15(11)20-16/h1-6,10,14,19H,7-9,18H2
- InChIKey
- LATXKPGYGCGGJM-UHFFFAOYSA-N
- Compound name
- N'-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)ethane-1,2-diamine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 305.08738 | 166.2 |
[M+Na]+ | 327.06932 | 173.5 |
[M-H]- | 303.07282 | 171.7 |
[M+NH4]+ | 322.11392 | 183.4 |
[M+K]+ | 343.04326 | 171.3 |
[M+H-H2O]+ | 287.07736 | 161.4 |
[M+HCOO]- | 349.07830 | 178.3 |
[M+CH3COO]- | 363.09395 | 176.7 |
[M+Na-2H]- | 325.05477 | 170.5 |
[M]+ | 304.07955 | 164.9 |
[M]- | 304.08065 | 164.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.