CID 5630379

36841-41-5

Structural Information

Molecular Formula
C15H10N4S2
SMILES
C1=CC=C2C(=C1)N=C(S2)N/C=N/C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H10N4S2/c1-3-7-12-10(5-1)18-14(20-12)16-9-17-15-19-11-6-2-4-8-13(11)21-15/h1-9H,(H,16,17,18,19)
InChIKey
NIPRVEVKPSHDBB-UHFFFAOYSA-N
Compound name
N,N'-bis(1,3-benzothiazol-2-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.0347 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.04198 162.1
[M+Na]+ 333.02392 176.8
[M+NH4]+ 328.06852 172.5
[M+K]+ 348.99786 167.5
[M-H]- 309.02742 168.5
[M+Na-2H]- 331.00937 171.5
[M]+ 310.03415 167.1
[M]- 310.03525 167.1
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

No patent data available for this compound.