CID 25230772
Schembl3962280
Structural Information
- Molecular Formula
- C32H51N5O3
- SMILES
- CCCCC1C(=O)N(CCC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)CC5CCOCC5
- InChI
- InChI=1S/C32H51N5O3/c1-5-6-7-27-29(38)36(22-26-8-20-40-21-9-26)17-12-32(27)13-18-37(19-14-32)31(4)10-15-35(16-11-31)30(39)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3
- InChIKey
- UKRJIOQFZULGKN-UHFFFAOYSA-N
- Compound name
- 5-butyl-9-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]-3-(oxan-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 554.40648 | 246.1 |
[M+Na]+ | 576.38842 | 244.5 |
[M-H]- | 552.39192 | 250.0 |
[M+NH4]+ | 571.43302 | 244.7 |
[M+K]+ | 592.36236 | 239.4 |
[M+H-H2O]+ | 536.39646 | 228.5 |
[M+HCOO]- | 598.39740 | 242.5 |
[M+CH3COO]- | 612.41305 | 245.8 |
[M+Na-2H]- | 574.37387 | 236.8 |
[M]+ | 553.39865 | 234.7 |
[M]- | 553.39975 | 234.7 |