CID 12116632

2'-(4-chloro-3-cyano-5-formyl-2-thienylazo)-5'-diethylamino-2-methoxyacetanilide

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 211.2
[M+Na]+ 456.08675 220.0
[M-H]- 432.09025 220.5
[M+NH4]+ 451.13135 223.4
[M+K]+ 472.06069 215.8
[M+H-H2O]+ 416.09479 196.2
[M+HCOO]- 478.09573 227.9
[M+CH3COO]- 492.11138 248.3
[M+Na-2H]- 454.07220 208.4
[M]+ 433.09698 215.6
[M]- 433.09808 215.6
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.