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 163.1
[M+Na]+ 333.02392 177.2
[M-H]- 309.02742 172.3
[M+NH4]+ 328.06852 182.8
[M+K]+ 348.99786 170.5
[M+H-H2O]+ 293.03196 157.1
[M+HCOO]- 355.03290 182.7
[M+CH3COO]- 369.04855 176.9
[M+Na-2H]- 331.00937 169.3
[M]+ 310.03415 170.6
[M]- 310.03525 170.6
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.