CID 14766521

2'-(4-chloro-3-cyano-5-formyl-2-thienyl)azo-5'-diethylaminoacetanilide

Structural Information

Molecular Formula
C18H18ClN5O2S
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C(=C(S2)C=O)Cl)C#N)NC(=O)C
InChI
InChI=1S/C18H18ClN5O2S/c1-4-24(5-2)12-6-7-14(15(8-12)21-11(3)26)22-23-18-13(9-20)17(19)16(10-25)27-18/h6-8,10H,4-5H2,1-3H3,(H,21,26)
InChIKey
LEIMRDFPISBEPH-UHFFFAOYSA-N
Compound name
N-[2-[(4-chloro-3-cyano-5-formylthiophen-2-yl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

403.08698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.09426 206.1
[M+Na]+ 426.07620 215.6
[M-H]- 402.07970 215.6
[M+NH4]+ 421.12080 219.5
[M+K]+ 442.05014 210.8
[M+H-H2O]+ 386.08424 191.3
[M+HCOO]- 448.08518 222.8
[M+CH3COO]- 462.10083 243.8
[M+Na-2H]- 424.06165 203.2
[M]+ 403.08643 209.0
[M]- 403.08753 209.0
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

patents stripe