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
2
Annotation Hits

0
References

69
Patents

403.08698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.094256 206.1
[M+Na]+ 426.076198 215.6
[M-H]- 402.079704 215.6
[M+NH4]+ 421.120803 219.5
[M+K]+ 442.050138 210.8
[M+H-H2O]+ 386.084240 191.3
[M+HCOO]- 448.085181 222.8
[M+CH3COO]- 462.100831 243.8
[M+Na-2H]- 424.061646 203.2
[M]+ 403.08643142 209.0
[M]- 403.08752858 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