CID 122884

Dtxsid5067685

Structural Information

Molecular Formula
C23H22N2S
SMILES
CCN1C(=CC(=NC2=CC=C(C=C2)C)C)SC3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C23H22N2S/c1-4-25-22(15-17(3)24-19-12-9-16(2)10-13-19)26-21-14-11-18-7-5-6-8-20(18)23(21)25/h5-15H,4H2,1-3H3
InChIKey
OWFOAKUBDUYIPL-UHFFFAOYSA-N
Compound name
1-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-N-(4-methylphenyl)propan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

358.15036 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15764 187.4
[M+Na]+ 381.13958 196.0
[M-H]- 357.14308 195.8
[M+NH4]+ 376.18418 204.1
[M+K]+ 397.11352 188.5
[M+H-H2O]+ 341.14762 179.1
[M+HCOO]- 403.14856 203.3
[M+CH3COO]- 417.16421 198.0
[M+Na-2H]- 379.12503 187.6
[M]+ 358.14981 190.1
[M]- 358.15091 190.1
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