CID 4199466

4-(4-(hexahydro-1h-azepin-1-yl)phenylazo)benzonitrile

Structural Information

Molecular Formula
C19H20N4
SMILES
C1CCCN(CC1)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C19H20N4/c20-15-16-5-7-17(8-6-16)21-22-18-9-11-19(12-10-18)23-13-3-1-2-4-14-23/h5-12H,1-4,13-14H2
InChIKey
YBQNHKXBMVKXIN-UHFFFAOYSA-N
Compound name
4-[[4-(azepan-1-yl)phenyl]diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17608 184.4
[M+Na]+ 327.15802 195.2
[M+NH4]+ 322.20262 188.8
[M+K]+ 343.13196 184.3
[M-H]- 303.16152 184.2
[M+Na-2H]- 325.14347 190.5
[M]+ 304.16825 185.2
[M]- 304.16935 185.2
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

No patent data available for this compound.