CID 5490738

75214-61-8

Structural Information

Molecular Formula
C20H15N3O2S
SMILES
CN(C)C1=CC=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3S2([O])[O]
InChI
InChI=1S/C20H15N3O2S/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/h3-11H,1-2H3
InChIKey
VXUVPVBTOKITQX-UHFFFAOYSA-N
Compound name
2-[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

361.0885 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09578 203.6
[M+Na]+ 384.07772 215.6
[M-H]- 360.08122 210.2
[M+NH4]+ 379.12232 215.8
[M+K]+ 400.05166 207.0
[M+H-H2O]+ 344.08576 188.1
[M+HCOO]- 406.08670 211.7
[M+CH3COO]- 420.10235 237.6
[M+Na-2H]- 382.06317 200.5
[M]+ 361.08795 198.3
[M]- 361.08905 198.3
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.