CID 83831

Biotinamide

Structural Information

Molecular Formula
C10H17N3O2S
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N)NC(=O)N2
InChI
InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m0/s1
InChIKey
XFLVBMBRLSCJAI-ZKWXMUAHSA-N
Compound name
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

46
References

1018
Patents

243.10414 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.111416 156.2
[M+Na]+ 266.093358 162.0
[M-H]- 242.096864 154.4
[M+NH4]+ 261.137963 174.2
[M+K]+ 282.067298 157.9
[M+H-H2O]+ 226.101400 150.5
[M+HCOO]- 288.102341 167.0
[M+CH3COO]- 302.117991 187.3
[M+Na-2H]- 264.078806 152.6
[M]+ 243.10359142 152.5
[M]- 243.10468858 152.5
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