CID 5516504

[4-(benzothiazol-2-yl-hydrazonomethyl)-phenyl]-dimethyl-amine

Structural Information

Molecular Formula
C16H16N4S
SMILES
CN(C)C1=CC=C(C=C1)/C=N\NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H16N4S/c1-20(2)13-9-7-12(8-10-13)11-17-19-16-18-14-5-3-4-6-15(14)21-16/h3-11H,1-2H3,(H,18,19)/b17-11-
InChIKey
OQMDXWUNOLJWGZ-BOPFTXTBSA-N
Compound name
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10956 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11684 165.6
[M+Na]+ 319.09878 174.6
[M-H]- 295.10228 175.3
[M+NH4]+ 314.14338 183.6
[M+K]+ 335.07272 169.9
[M+H-H2O]+ 279.10682 156.8
[M+HCOO]- 341.10776 190.2
[M+CH3COO]- 355.12341 178.5
[M+Na-2H]- 317.08423 171.5
[M]+ 296.10901 170.4
[M]- 296.11011 170.4
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.