CID 83814

Biocytin

Structural Information

Molecular Formula
C16H28N4O4S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)O)N)NC(=O)N2
InChI
InChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChIKey
BAQMYDQNMFBZNA-MNXVOIDGSA-N
Compound name
(2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-aminohexanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1537
References

5993
Patents

372.18314 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19042 187.2
[M+Na]+ 395.17236 187.0
[M+NH4]+ 390.21696 189.5
[M+K]+ 411.14630 187.5
[M-H]- 371.17586 182.9
[M+Na-2H]- 393.15781 182.0
[M]+ 372.18259 185.2
[M]- 372.18369 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe