CID 6449020

2-cyano-n-(4-methyl-2-benzothiazolyl)-3-phenyl-2-propenamide

Structural Information

Molecular Formula
C18H13N3OS
SMILES
CC1=C2C(=CC=C1)SC(=N2)NC(=O)/C(=C/C3=CC=CC=C3)/C#N
InChI
InChI=1S/C18H13N3OS/c1-12-6-5-9-15-16(12)20-18(23-15)21-17(22)14(11-19)10-13-7-3-2-4-8-13/h2-10H,1H3,(H,20,21,22)/b14-10+
InChIKey
DJIQZBPFNJXAHS-GXDHUFHOSA-N
Compound name
(E)-2-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07794 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08522 172.8
[M+Na]+ 342.06716 185.3
[M+NH4]+ 337.11176 177.4
[M+K]+ 358.04110 174.5
[M-H]- 318.07066 169.5
[M+Na-2H]- 340.05261 177.5
[M]+ 319.07739 173.2
[M]- 319.07849 173.2
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

No patent data available for this compound.