CID 3489090

Stk097061

Structural Information

Molecular Formula
C17H10ClN3OS
SMILES
C1=CC=C(C(=C1)C2C(=C(OC(=C2C#N)N)C3=CC=CS3)C#N)Cl
InChI
InChI=1S/C17H10ClN3OS/c18-13-5-2-1-4-10(13)15-11(8-19)16(14-6-3-7-23-14)22-17(21)12(15)9-20/h1-7,15H,21H2
InChIKey
HMGADZFFSFELRQ-UHFFFAOYSA-N
Compound name
2-amino-4-(2-chlorophenyl)-6-thiophen-2-yl-4H-pyran-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.02332 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03060 192.9
[M+Na]+ 362.01254 206.1
[M-H]- 338.01604 199.9
[M+NH4]+ 357.05714 203.1
[M+K]+ 377.98648 198.1
[M+H-H2O]+ 322.02058 177.4
[M+HCOO]- 384.02152 198.9
[M+CH3COO]- 398.03717 199.2
[M+Na-2H]- 359.99799 189.7
[M]+ 339.02277 186.9
[M]- 339.02387 186.9
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.