CID 77390

3771-31-1

Structural Information

Molecular Formula
C16H16N4OS
SMILES
CN(C)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C16H16N4OS/c1-20(2)12-6-4-11(5-7-12)18-19-16-17-14-9-8-13(21-3)10-15(14)22-16/h4-10H,1-3H3
InChIKey
AVPFTROGVGTTEC-UHFFFAOYSA-N
Compound name
4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

13
Patents

312.1045 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11178 170.2
[M+Na]+ 335.09372 183.9
[M+NH4]+ 330.13832 179.5
[M+K]+ 351.06766 175.5
[M-H]- 311.09722 177.4
[M+Na-2H]- 333.07917 180.0
[M]+ 312.10395 174.7
[M]- 312.10505 174.7
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