CID 16205609

2-[(6-methoxy-3-methyl-2h-1,3-benzothiazol-2-yl)diazenyl]-n,n-dimethylaniline

Structural Information

Molecular Formula
C17H20N4OS
SMILES
CN1C(SC2=C1C=CC(=C2)OC)N=NC3=CC=CC=C3N(C)C
InChI
InChI=1S/C17H20N4OS/c1-20(2)14-8-6-5-7-13(14)18-19-17-21(3)15-10-9-12(22-4)11-16(15)23-17/h5-11,17H,1-4H3
InChIKey
XOLBCNSVZTUXPE-UHFFFAOYSA-N
Compound name
2-[(6-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)diazenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13577 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.143046 176.1
[M+Na]+ 351.124988 184.4
[M-H]- 327.128494 186.8
[M+NH4]+ 346.169593 193.8
[M+K]+ 367.098928 181.4
[M+H-H2O]+ 311.133030 167.1
[M+HCOO]- 373.133971 199.1
[M+CH3COO]- 387.149621 223.3
[M+Na-2H]- 349.110436 178.7
[M]+ 328.13522142 182.4
[M]- 328.13631858 182.4
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.