CID 6913476

Einecs 278-129-9

Structural Information

Molecular Formula
C20H17N3O2S
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=C(C#N)C#N)C3=CC=CC=C3S2(O)O
InChI
InChI=1S/C20H17N3O2S/c1-23(2)16-9-7-14(8-10-16)11-19-20(15(12-21)13-22)17-5-3-4-6-18(17)26(19,24)25/h3-11,24-25H,1-2H3/b19-11-
InChIKey
BTGAHPUNNUXDLW-ODLFYWEKSA-N
Compound name
2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-1,1-dihydroxy-1-benzothiophen-3-ylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.10416 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.11144 191.3
[M+Na]+ 386.09338 198.8
[M+NH4]+ 381.13798 192.2
[M+K]+ 402.06732 187.3
[M-H]- 362.09688 182.2
[M+Na-2H]- 384.07883 190.7
[M]+ 363.10361 188.8
[M]- 363.10471 188.8
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.