CID 322915

70374-15-1

Structural Information

Molecular Formula
C19H16N4S2
SMILES
C1C2(CN3C4=CC=CC=C4N=C3SC2)CSC5=NC6=CC=CC=C6N51
InChI
InChI=1S/C19H16N4S2/c1-3-7-15-13(5-1)20-17-22(15)9-19(11-24-17)10-23-16-8-4-2-6-14(16)21-18(23)25-12-19/h1-8H,9-12H2
InChIKey
MLLGDIHQWNDKMF-UHFFFAOYSA-N
Compound name
3,3'-spirobi[2,4-dihydro-[1,3]thiazino[3,2-a]benzimidazole]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.08163 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08891 175.3
[M+Na]+ 387.07085 189.6
[M-H]- 363.07435 180.2
[M+NH4]+ 382.11545 194.0
[M+K]+ 403.04479 182.2
[M+H-H2O]+ 347.07889 168.5
[M+HCOO]- 409.07983 182.2
[M+CH3COO]- 423.09548 186.1
[M+Na-2H]- 385.05630 180.0
[M]+ 364.08108 179.5
[M]- 364.08218 179.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.