CID 5901197

2-(4-(3-bromophenyl)-1,3-thiazol-2-yl)-3-(4-ethoxyphenyl)acrylonitrile

Structural Information

Molecular Formula
C20H15BrN2OS
SMILES
CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC(=CC=C3)Br
InChI
InChI=1S/C20H15BrN2OS/c1-2-24-18-8-6-14(7-9-18)10-16(12-22)20-23-19(13-25-20)15-4-3-5-17(21)11-15/h3-11,13H,2H2,1H3/b16-10+
InChIKey
LVYXXVHFNDDYEB-MHWRWJLKSA-N
Compound name
(E)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-(4-ethoxyphenyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.00885 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.01613 188.1
[M+Na]+ 432.99807 202.3
[M-H]- 409.00157 196.3
[M+NH4]+ 428.04267 202.1
[M+K]+ 448.97201 187.0
[M+H-H2O]+ 393.00611 179.6
[M+HCOO]- 455.00705 202.6
[M+CH3COO]- 469.02270 198.9
[M+Na-2H]- 430.98352 187.9
[M]+ 410.00830 202.7
[M]- 410.00940 202.7
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

No patent data available for this compound.