CID 3072900
145131-26-6
Structural Information
- Molecular Formula
- C28H39N3O
- SMILES
- CCC(CC)(CNC(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C2=CN(C3=CC=CC=C32)C
- InChI
- InChI=1S/C28H39N3O/c1-8-28(9-2,24-17-31(7)25-16-11-10-13-23(24)25)18-29-27(32)30-26-21(19(3)4)14-12-15-22(26)20(5)6/h10-17,19-20H,8-9,18H2,1-7H3,(H2,29,30,32)
- InChIKey
- CYDKXRLIHVSDLU-UHFFFAOYSA-N
- Compound name
- 1-[2,6-di(propan-2-yl)phenyl]-3-[2-ethyl-2-(1-methylindol-3-yl)butyl]urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 434.31661 | 214.9 |
[M+Na]+ | 456.29855 | 219.1 |
[M-H]- | 432.30205 | 221.0 |
[M+NH4]+ | 451.34315 | 225.9 |
[M+K]+ | 472.27249 | 213.7 |
[M+H-H2O]+ | 416.30659 | 205.9 |
[M+HCOO]- | 478.30753 | 232.9 |
[M+CH3COO]- | 492.32318 | 240.9 |
[M+Na-2H]- | 454.28400 | 212.7 |
[M]+ | 433.30878 | 218.7 |
[M]- | 433.30988 | 218.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.