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

366
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 158.7
[M+Na]+ 305.01775 174.1
[M-H]- 281.02125 167.0
[M+NH4]+ 300.06235 179.8
[M+K]+ 320.99169 167.6
[M+H-H2O]+ 265.02579 153.8
[M+HCOO]- 327.02673 175.0
[M+CH3COO]- 341.04238 173.0
[M+Na-2H]- 303.00320 162.2
[M]+ 282.02798 166.6
[M]- 282.02908 166.6
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

patents stripe