CID 3049425

Brn 0671469

Structural Information

Molecular Formula
C15H17BrN4
SMILES
CC(C)C1=CC(=CC(=C1NN=C(C#N)C#N)C(C)C)Br
InChI
InChI=1S/C15H17BrN4/c1-9(2)13-5-11(16)6-14(10(3)4)15(13)20-19-12(7-17)8-18/h5-6,9-10,20H,1-4H3
InChIKey
ZRXJIYGREKBOPL-UHFFFAOYSA-N
Compound name
2-[[4-bromo-2,6-di(propan-2-yl)phenyl]hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.06366 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07094 173.5
[M+Na]+ 355.05288 183.5
[M-H]- 331.05638 176.8
[M+NH4]+ 350.09748 184.7
[M+K]+ 371.02682 173.8
[M+H-H2O]+ 315.06092 160.8
[M+HCOO]- 377.06186 187.1
[M+CH3COO]- 391.07751 236.5
[M+Na-2H]- 353.03833 172.5
[M]+ 332.06311 177.3
[M]- 332.06421 177.3
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.