CID 71562492

[(1s)-5-amino-1-[[(2r)-2-(trimethyl[?]yl)propyl]carbamoyl]pentyl]ammonium chloride

Structural Information

Molecular Formula
C19H36BN3O3
SMILES
B1(O[C@H]2C[C@H]3C[C@@H]([C@]2(O1)C)C3(C)C)[C@H](C)CNC(=O)[C@H](CCCCN)N
InChI
InChI=1S/C19H36BN3O3/c1-12(11-23-17(24)14(22)7-5-6-8-21)20-25-16-10-13-9-15(18(13,2)3)19(16,4)26-20/h12-16H,5-11,21-22H2,1-4H3,(H,23,24)/t12-,13-,14+,15-,16+,19-/m1/s1
InChIKey
MWKRSZZZIHAFTK-OUSZYSOSSA-N
Compound name
(2S)-2,6-diamino-N-[(2R)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]propyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.28497 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.29225 207.8
[M+Na]+ 388.27419 206.3
[M-H]- 364.27769 207.3
[M+NH4]+ 383.31879 219.1
[M+K]+ 404.24813 209.6
[M+H-H2O]+ 348.28223 197.5
[M+HCOO]- 410.28317 213.9
[M+CH3COO]- 424.29882 232.5
[M+Na-2H]- 386.25964 207.4
[M]+ 365.28442 217.7
[M]- 365.28552 217.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.