CID 82084

4-((4-isothiocyanatophenyl)azo)-n,n-dimethylaniline

Structural Information

Molecular Formula
C15H14N4S
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=C=S
InChI
InChI=1S/C15H14N4S/c1-19(2)15-9-7-14(8-10-15)18-17-13-5-3-12(4-6-13)16-11-20/h3-10H,1-2H3
InChIKey
OSWZKAVBSQAVFI-UHFFFAOYSA-N
Compound name
4-[(4-isothiocyanatophenyl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

32
References

3555
Patents

282.0939 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 164.4
[M+Na]+ 305.08312 171.7
[M-H]- 281.08662 176.5
[M+NH4]+ 300.12772 182.1
[M+K]+ 321.05706 168.3
[M+H-H2O]+ 265.09116 154.5
[M+HCOO]- 327.09210 192.3
[M+CH3COO]- 341.10775 217.9
[M+Na-2H]- 303.06857 169.8
[M]+ 282.09335 168.3
[M]- 282.09445 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe