CID 3019162

83249-47-2

Structural Information

Molecular Formula
C21H23BrN6O3
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N)NC(=O)C
InChI
InChI=1S/C21H23BrN6O3/c1-4-8-27(9-5-2)16-6-7-19(20(12-16)24-14(3)29)25-26-21-15(13-23)10-17(28(30)31)11-18(21)22/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,29)
InChIKey
MFZCNHQXBMFAEU-UHFFFAOYSA-N
Compound name
N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(dipropylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1015 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.10878 211.4
[M+Na]+ 509.09072 218.6
[M-H]- 485.09422 219.1
[M+NH4]+ 504.13532 220.3
[M+K]+ 525.06466 203.8
[M+H-H2O]+ 469.09876 201.6
[M+HCOO]- 531.09970 234.4
[M+CH3COO]- 545.11535 250.1
[M+Na-2H]- 507.07617 212.8
[M]+ 486.10095 224.4
[M]- 486.10205 224.4
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

No patent data available for this compound.