CID 6436715

Propanedinitrile, 2-(4-(1-ethylnaphtho(1,2-d)thiazol-2(1h)-ylidene)-1-phenyl-2-buten-1-ylidene)-

Structural Information

Molecular Formula
C26H19N3S
SMILES
CCN1/C(=C\C=C/C(=C(C#N)C#N)C2=CC=CC=C2)/SC3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C26H19N3S/c1-2-29-25(30-24-16-15-20-11-6-7-12-23(20)26(24)29)14-8-13-22(21(17-27)18-28)19-9-4-3-5-10-19/h3-16H,2H2,1H3/b13-8-,25-14+
InChIKey
XWYXSKKLNWFZLO-FMEHMHBLSA-N
Compound name
2-[(Z,4E)-4-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-1-phenylbut-2-enylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12997 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13725 215.5
[M+Na]+ 428.11919 226.6
[M-H]- 404.12269 219.2
[M+NH4]+ 423.16379 224.3
[M+K]+ 444.09313 213.4
[M+H-H2O]+ 388.12723 198.6
[M+HCOO]- 450.12817 219.4
[M+CH3COO]- 464.14382 218.8
[M+Na-2H]- 426.10464 210.6
[M]+ 405.12942 207.2
[M]- 405.13052 207.2
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.