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 183.8
[M+Na]+ 407.08419 195.6
[M-H]- 383.08769 193.1
[M+NH4]+ 402.12879 198.6
[M+K]+ 423.05813 183.1
[M+H-H2O]+ 367.09223 172.7
[M+HCOO]- 429.09317 207.4
[M+CH3COO]- 443.10882 239.2
[M+Na-2H]- 405.06964 186.4
[M]+ 384.09442 198.6
[M]- 384.09552 198.6
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