CID 162043

Acetamide, n-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-

Structural Information

Molecular Formula
C20H19N7O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2C#N)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C20H19N7O3/c1-4-26(5-2)16-6-7-18(19(10-16)23-13(3)28)24-25-20-14(11-21)8-17(27(29)30)9-15(20)12-22/h6-10H,4-5H2,1-3H3,(H,23,28)
InChIKey
LEGWLJGBFZBZSC-UHFFFAOYSA-N
Compound name
N-[2-[(2,6-dicyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1143
Patents

405.15494 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16222 207.9
[M+Na]+ 428.14416 213.7
[M-H]- 404.14766 213.1
[M+NH4]+ 423.18876 213.6
[M+K]+ 444.11810 208.5
[M+H-H2O]+ 388.15220 192.0
[M+HCOO]- 450.15314 222.8
[M+CH3COO]- 464.16879 249.9
[M+Na-2H]- 426.12961 206.1
[M]+ 405.15439 199.9
[M]- 405.15549 199.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe