CID 74755

1945-78-4

Structural Information

Molecular Formula
C15H10N2S2
SMILES
C1=CC=C2C(=C1)N=C(S2)CC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C15H10N2S2/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15/h1-8H,9H2
InChIKey
ZRXNLCFJIKBZCA-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-ylmethyl)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

360
Patents

282.02853 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03581 156.0
[M+Na]+ 305.01775 172.8
[M+NH4]+ 300.06235 167.4
[M+K]+ 320.99169 162.9
[M-H]- 281.02125 161.9
[M+Na-2H]- 303.00320 165.1
[M]+ 282.02798 161.4
[M]- 282.02908 161.4
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