CID 53363014
205393-21-1
Structural Information
- Molecular Formula
- C24H37BN2O3
- SMILES
- B1(O[C@@H]2C[C@@H]3C[C@H]([C@@]2(O1)C)C3(C)C)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=CC=C4)N
- InChI
- InChI=1S/C24H37BN2O3/c1-15(2)11-21(27-22(28)18(26)12-16-9-7-6-8-10-16)25-29-20-14-17-13-19(23(17,3)4)24(20,5)30-25/h6-10,15,17-21H,11-14,26H2,1-5H3,(H,27,28)/t17-,18-,19-,20+,21-,24-/m0/s1
- InChIKey
- XQVVQXGUJAMKFX-NNQKNUJYSA-N
- Compound name
- (2S)-2-amino-N-[(1R)-3-methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]butyl]-3-phenylpropanamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 413.29701 | 217.4 |
[M+Na]+ | 435.27895 | 215.9 |
[M-H]- | 411.28245 | 220.3 |
[M+NH4]+ | 430.32355 | 227.0 |
[M+K]+ | 451.25289 | 218.6 |
[M+H-H2O]+ | 395.28699 | 205.7 |
[M+HCOO]- | 457.28793 | 222.2 |
[M+CH3COO]- | 471.30358 | 238.8 |
[M+Na-2H]- | 433.26440 | 215.8 |
[M]+ | 412.28918 | 227.7 |
[M]- | 412.29028 | 227.7 |
Literature stripe
No literature data available for this compound.