CID 113884

Ethanone, 2-(1-methylnaphtho(1,2-d)thiazol-2(1h)-ylidene)-1-(2-thienyl)-

Structural Information

Molecular Formula
C18H13NOS2
SMILES
CN1C(=CC(=O)C2=CC=CS2)SC3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C18H13NOS2/c1-19-17(11-14(20)15-7-4-10-21-15)22-16-9-8-12-5-2-3-6-13(12)18(16)19/h2-11H,1H3
InChIKey
IZCYTEDHJCNZFO-UHFFFAOYSA-N
Compound name
2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.04385 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05113 170.1
[M+Na]+ 346.03307 184.1
[M+NH4]+ 341.07767 180.6
[M+K]+ 362.00701 175.1
[M-H]- 322.03657 175.1
[M+Na-2H]- 344.01852 176.4
[M]+ 323.04330 174.7
[M]- 323.04440 174.7
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