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 174.4
[M+Na]+ 346.03307 186.6
[M-H]- 322.03657 182.8
[M+NH4]+ 341.07767 194.6
[M+K]+ 362.00701 179.9
[M+H-H2O]+ 306.04111 169.8
[M+HCOO]- 368.04205 187.3
[M+CH3COO]- 382.05770 186.8
[M+Na-2H]- 344.01852 173.5
[M]+ 323.04330 179.7
[M]- 323.04440 179.7
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