CID 29080

N,n-dimethyl-4-(6-benzothiazolylazo)aniline

Structural Information

Molecular Formula
C15H14N4S
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CS3
InChI
InChI=1S/C15H14N4S/c1-19(2)13-6-3-11(4-7-13)17-18-12-5-8-14-15(9-12)20-10-16-14/h3-10H,1-2H3
InChIKey
RRPLFUWADFBRTK-UHFFFAOYSA-N
Compound name
4-(1,3-benzothiazol-6-yldiazenyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

1
Patents

282.0939 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10118 161.9
[M+Na]+ 305.08312 171.8
[M-H]- 281.08662 173.2
[M+NH4]+ 300.12772 181.2
[M+K]+ 321.05706 168.2
[M+H-H2O]+ 265.09116 152.9
[M+HCOO]- 327.09210 188.3
[M+CH3COO]- 341.10775 175.9
[M+Na-2H]- 303.06857 168.5
[M]+ 282.09335 168.2
[M]- 282.09445 168.2
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