PubChemLite - Biocytin hydrazide (C16H30N6O3S)

Structural Information

Molecular Formula

SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)NN)N)NC(=O)N2

InChI

InChI=1S/C16H30N6O3S/c17-10(15(24)22-18)5-3-4-8-19-13(23)7-2-1-6-12-14-11(9-26-12)20-16(25)21-14/h10-12,14H,1-9,17-18H2,(H,19,23)(H,22,24)(H2,20,21,25)/t10-,11-,12-,14-/m0/s1

InChIKey

XSXHTPJCSHZYFJ-MNXVOIDGSA-N

Compound name

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(5S)-5-amino-6-hydrazinyl-6-oxohexyl]pentanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	387.21730	187.7
[M+Na]+	409.19924	185.6
[M+NH4]+	404.24384	189.7
[M+K]+	425.17318	186.7
[M-H]-	385.20274	184.7
[M+Na-2H]-	407.18469	183.1
[M]+	386.20947	185.6
[M]-	386.21057	185.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.21730

187.7

[M+Na]+

409.19924

185.6

[M+NH4]+

404.24384

189.7

[M+K]+

425.17318

186.7

[M-H]-

385.20274

184.7

[M+Na-2H]-

407.18469

183.1

[M]+

386.20947

185.6

[M]-

386.21057

185.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Biocytin hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe