CID 75677

2537-62-4

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 201.4
[M+Na]+ 481.05942 203.4
[M+NH4]+ 476.10402 200.9
[M+K]+ 497.03336 201.5
[M-H]- 457.06292 199.5
[M+Na-2H]- 479.04487 201.6
[M]+ 458.06965 199.2
[M]- 458.07075 199.2
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