CID 70585

Ethanone, 2-(1-methylnaphtho[1,2-d]thiazol-2(1h)-ylidene)-1-phenyl-

Structural Information

Molecular Formula
C20H15NOS
SMILES
CN1C(=CC(=O)C2=CC=CC=C2)SC3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C20H15NOS/c1-21-19(13-17(22)15-8-3-2-4-9-15)23-18-12-11-14-7-5-6-10-16(14)20(18)21/h2-13H,1H3
InChIKey
JLRFFZDTXCCEFM-UHFFFAOYSA-N
Compound name
2-(1-methylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

317.08743 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09471 174.0
[M+Na]+ 340.07665 183.3
[M-H]- 316.08015 181.3
[M+NH4]+ 335.12125 191.6
[M+K]+ 356.05059 176.3
[M+H-H2O]+ 300.08469 166.6
[M+HCOO]- 362.08563 188.8
[M+CH3COO]- 376.10128 185.3
[M+Na-2H]- 338.06210 175.3
[M]+ 317.08688 175.7
[M]- 317.08798 175.7
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