CID 12116632

122371-93-1

Structural Information

Molecular Formula
C19H20ClN5O3S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C(=C(S2)C=O)Cl)C#N)NC(=O)COC
InChI
InChI=1S/C19H20ClN5O3S/c1-4-25(5-2)12-6-7-14(15(8-12)22-17(27)11-28-3)23-24-19-13(9-21)18(20)16(10-26)29-19/h6-8,10H,4-5,11H2,1-3H3,(H,22,27)
InChIKey
SXIKWSUXCBSFTQ-UHFFFAOYSA-N
Compound name
N-[2-[(4-chloro-3-cyano-5-formylthiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]-2-methoxyacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.09753 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.10481 197.9
[M+Na]+ 456.08675 206.4
[M+NH4]+ 451.13135 200.3
[M+K]+ 472.06069 197.0
[M-H]- 432.09025 195.0
[M+Na-2H]- 454.07220 200.2
[M]+ 433.09698 197.8
[M]- 433.09808 197.8
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.