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]+ 305.176076 176.2
[M+Na]+ 327.158018 181.8
[M-H]- 303.161524 184.2
[M+NH4]+ 322.202623 187.2
[M+K]+ 343.131958 179.6
[M+H-H2O]+ 287.166060 159.9
[M+HCOO]- 349.167001 194.8
[M+CH3COO]- 363.182651 184.3
[M+Na-2H]- 325.143466 179.6
[M]+ 304.16825142 165.4
[M]- 304.16934858 165.4
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.