CID 3054300
Brn 5633980
Structural Information
- Molecular Formula
- C23H29N5S
- SMILES
- CC(C)CC1=NC2=CC=CC=C2C(=C1)NC(=NC3CCCCC3)NC4=NC=CS4
- InChI
- InChI=1S/C23H29N5S/c1-16(2)14-18-15-21(19-10-6-7-11-20(19)25-18)27-22(28-23-24-12-13-29-23)26-17-8-4-3-5-9-17/h6-7,10-13,15-17H,3-5,8-9,14H2,1-2H3,(H2,24,25,26,27,28)
- InChIKey
- XTKMPEATVOCSKS-UHFFFAOYSA-N
- Compound name
- 2-cyclohexyl-1-[2-(2-methylpropyl)quinolin-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]+ | 408.22164 | 194.1 |
[M+Na]+ | 430.20358 | 197.6 |
[M-H]- | 406.20708 | 202.2 |
[M+NH4]+ | 425.24818 | 204.8 |
[M+K]+ | 446.17752 | 191.2 |
[M+H-H2O]+ | 390.21162 | 183.6 |
[M+HCOO]- | 452.21256 | 209.9 |
[M+CH3COO]- | 466.22821 | 202.0 |
[M+Na-2H]- | 428.18903 | 195.6 |
[M]+ | 407.21381 | 192.7 |
[M]- | 407.21491 | 192.7 |
Literature stripe
Patent stripe
No patent data available for this compound.