CID 5285269

(e)-2-(benzo[d]thiazol-2-yl)-3-(4-(dimethylamino)phenyl)acrylonitrile

Structural Information

Molecular Formula
C18H15N3S
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C18H15N3S/c1-21(2)15-9-7-13(8-10-15)11-14(12-19)18-20-16-5-3-4-6-17(16)22-18/h3-11H,1-2H3/b14-11+
InChIKey
KEPVWOGMRMBPGI-SDNWHVSQSA-N
Compound name
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.09866 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10594 169.3
[M+Na]+ 328.08788 182.8
[M+NH4]+ 323.13248 175.1
[M+K]+ 344.06182 171.4
[M-H]- 304.09138 167.2
[M+Na-2H]- 326.07333 175.1
[M]+ 305.09811 170.4
[M]- 305.09921 170.4
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.