CID 24856354

N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C12H16N6OS2
SMILES
C1=C(N=CS1)C2=NC(=CS2)C(=O)NCCCCN=C(N)N
InChI
InChI=1S/C12H16N6OS2/c13-12(14)16-4-2-1-3-15-10(19)8-6-21-11(18-8)9-5-20-7-17-9/h5-7H,1-4H2,(H,15,19)(H4,13,14,16)
InChIKey
VSIFMASDYAMOAN-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)butyl]-2-(1,3-thiazol-4-yl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

324.0827 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08998 168.5
[M+Na]+ 347.07192 175.7
[M-H]- 323.07542 173.8
[M+NH4]+ 342.11652 183.4
[M+K]+ 363.04586 170.7
[M+H-H2O]+ 307.07996 159.9
[M+HCOO]- 369.08090 185.9
[M+CH3COO]- 383.09655 212.4
[M+Na-2H]- 345.05737 168.1
[M]+ 324.08215 170.5
[M]- 324.08325 170.5
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