CID 76032

Jeeadtzivqeckp-uhfffaoysa-n

Structural Information

Molecular Formula
C16H14N2S2
SMILES
CN1C2=CC=CC=C2SC1=C3N(C4=CC=CC=C4S3)C
InChI
InChI=1S/C16H14N2S2/c1-17-11-7-3-5-9-13(11)19-15(17)16-18(2)12-8-4-6-10-14(12)20-16/h3-10H,1-2H3
InChIKey
JEEADTZIVQECKP-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

298.05984 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.067116 166.3
[M+Na]+ 321.049058 178.8
[M-H]- 297.052564 173.2
[M+NH4]+ 316.093663 186.7
[M+K]+ 337.022998 172.3
[M+H-H2O]+ 281.057100 161.5
[M+HCOO]- 343.058041 176.7
[M+CH3COO]- 357.073691 178.6
[M+Na-2H]- 319.034506 164.5
[M]+ 298.05929142 169.2
[M]- 298.06038858 169.2
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

patents stripe