CID 5470916

Nsc706213

Structural Information

Molecular Formula
C19H17N3OS2
SMILES
CN1C/C(=C\C2=CC=CS2)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4
InChI
InChI=1S/C19H17N3OS2/c1-22-10-12(8-13-4-2-6-24-13)18-15(11-22)17(16-5-3-7-25-16)14(9-20)19(21)23-18/h2-8,17H,10-11,21H2,1H3/b12-8+
InChIKey
HICPRZRMTPGVDW-XYOKQWHBSA-N
Compound name
(8E)-2-amino-6-methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.0813 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08858 195.2
[M+Na]+ 390.07052 208.9
[M-H]- 366.07402 203.9
[M+NH4]+ 385.11512 209.4
[M+K]+ 406.04446 200.4
[M+H-H2O]+ 350.07856 183.1
[M+HCOO]- 412.07950 203.8
[M+CH3COO]- 426.09515 204.4
[M+Na-2H]- 388.05597 191.3
[M]+ 367.08075 192.2
[M]- 367.08185 192.2
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.