CID 3019164

83249-49-4

Structural Information

Molecular Formula
C19H21BrN4
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)C)C#N)C
InChI
InChI=1S/C19H21BrN4/c1-5-24(6-2)16-7-8-18(14(4)11-16)22-23-19-15(12-21)9-13(3)10-17(19)20/h7-11H,5-6H2,1-4H3
InChIKey
PXONGEDHJMHZGT-UHFFFAOYSA-N
Compound name
3-bromo-2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-5-methylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

384.09497 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10225 184.0
[M+Na]+ 407.08419 188.4
[M+NH4]+ 402.12879 185.8
[M+K]+ 423.05813 182.7
[M-H]- 383.08769 182.5
[M+Na-2H]- 405.06964 186.6
[M]+ 384.09442 182.6
[M]- 384.09552 182.6
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