CID 47672

65542-22-5

Structural Information

Molecular Formula
C15H13ClN4
SMILES
CN(CC1=CC=C(C=C1)Cl)N=NC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13ClN4/c1-20(11-13-2-6-14(16)7-3-13)19-18-15-8-4-12(10-17)5-9-15/h2-9H,11H2,1H3
InChIKey
YMHHKKQNHGYVIT-UHFFFAOYSA-N
Compound name
4-[[(4-chlorophenyl)methyl-methylamino]diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.0829 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09018 170.9
[M+Na]+ 307.07212 180.7
[M-H]- 283.07562 179.2
[M+NH4]+ 302.11672 186.4
[M+K]+ 323.04606 175.2
[M+H-H2O]+ 267.08016 156.0
[M+HCOO]- 329.08110 192.5
[M+CH3COO]- 343.09675 222.8
[M+Na-2H]- 305.05757 176.0
[M]+ 284.08235 169.4
[M]- 284.08345 169.4
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.