CID 6479423
6-[(z)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine
Structural Information
- Molecular Formula
- C22H23N3O3S
- SMILES
- CCOC1=CC=C(C=C1)/C(=C/C#C)/C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N
- InChI
- InChI=1S/C22H23N3O3S/c1-5-7-19(16-8-11-18(12-9-16)28-6-2)17-10-13-20-21(14-17)25(22(23)24-20)29(26,27)15(3)4/h1,7-15H,6H2,2-4H3,(H2,23,24)/b19-7-
- InChIKey
- QSFCAASBTCEWGJ-GXHLCREISA-N
- Compound name
- 6-[(Z)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 410.15331 | 210.9 |
[M+Na]+ | 432.13525 | 221.4 |
[M-H]- | 408.13875 | 213.3 |
[M+NH4]+ | 427.17985 | 220.0 |
[M+K]+ | 448.10919 | 213.6 |
[M+H-H2O]+ | 392.14329 | 196.3 |
[M+HCOO]- | 454.14423 | 218.9 |
[M+CH3COO]- | 468.15988 | 228.3 |
[M+Na-2H]- | 430.12070 | 207.3 |
[M]+ | 409.14548 | 209.8 |
[M]- | 409.14658 | 209.8 |
Literature stripe
Patent stripe
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