CID 75677

N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide

Structural Information

Molecular Formula
C19H19BrN6O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C19H19BrN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)
InChIKey
KTXMBTRTVMMWQS-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

26
Patents

458.0702 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.07748 203.6
[M+Na]+ 481.05942 211.6
[M-H]- 457.06292 211.7
[M+NH4]+ 476.10402 213.5
[M+K]+ 497.03336 197.1
[M+H-H2O]+ 441.06746 194.2
[M+HCOO]- 503.06840 227.2
[M+CH3COO]- 517.08405 245.3
[M+Na-2H]- 479.04487 205.8
[M]+ 458.06965 216.1
[M]- 458.07075 216.1
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