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]+ 362.095776 203.6
[M+Na]+ 384.077718 215.6
[M-H]- 360.081224 210.2
[M+NH4]+ 379.122323 215.8
[M+K]+ 400.051658 207.0
[M+H-H2O]+ 344.085760 188.1
[M+HCOO]- 406.086701 211.7
[M+CH3COO]- 420.102351 237.6
[M+Na-2H]- 382.063166 200.5
[M]+ 361.08795142 198.3
[M]- 361.08904858 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.