CID 112566

Einecs 263-877-0

Structural Information

Molecular Formula
C16H15NOS
SMILES
CCN1C(=CC(=O)C)SC2=C1C3=CC=CC=C3C=C2
InChI
InChI=1S/C16H15NOS/c1-3-17-15(10-11(2)18)19-14-9-8-12-6-4-5-7-13(12)16(14)17/h4-10H,3H2,1-2H3
InChIKey
FSYJVXBJEONOLT-UHFFFAOYSA-N
Compound name
1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08743 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09471 161.2
[M+Na]+ 292.07665 170.9
[M-H]- 268.08015 165.6
[M+NH4]+ 287.12125 181.4
[M+K]+ 308.05059 165.4
[M+H-H2O]+ 252.08469 155.3
[M+HCOO]- 314.08563 175.9
[M+CH3COO]- 328.10128 173.4
[M+Na-2H]- 290.06210 162.4
[M]+ 269.08688 164.2
[M]- 269.08798 164.2
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