CID 3054338
71132-08-6
Structural Information
- Molecular Formula
- C22H29N5S
- SMILES
- CCCCC(CC)CN=C(NC1=CC(=NC2=CC=CC=C21)C)NC3=NC=CS3
- InChI
- InChI=1S/C22H29N5S/c1-4-6-9-17(5-2)15-24-21(27-22-23-12-13-28-22)26-20-14-16(3)25-19-11-8-7-10-18(19)20/h7-8,10-14,17H,4-6,9,15H2,1-3H3,(H2,23,24,25,26,27)
- InChIKey
- YUHQZQHOBASSTJ-UHFFFAOYSA-N
- Compound name
- 2-(2-ethylhexyl)-1-(2-methylquinolin-4-yl)-3-(1,3-thiazol-2-yl)guanidine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 396.22164 | 195.5 |
[M+Na]+ | 418.20358 | 201.0 |
[M-H]- | 394.20708 | 201.5 |
[M+NH4]+ | 413.24818 | 207.5 |
[M+K]+ | 434.17752 | 194.7 |
[M+H-H2O]+ | 378.21162 | 185.4 |
[M+HCOO]- | 440.21256 | 214.4 |
[M+CH3COO]- | 454.22821 | 230.2 |
[M+Na-2H]- | 416.18903 | 197.4 |
[M]+ | 395.21381 | 200.3 |
[M]- | 395.21491 | 200.3 |
Literature stripe
Patent stripe
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