CID 90486650

3-methyl2((3methyl2benzothiazolinylidene)hydrazonomethylazo)benzothiazolium clo4

Structural Information

Molecular Formula
C17H15N6S2
SMILES
CN\1C2=CC=CC=C2S/C1=N\N=C\N=NC3=[N+](C4=CC=CC=C4S3)C
InChI
InChI=1S/C17H15N6S2/c1-22-12-7-3-5-9-14(12)24-16(22)20-18-11-19-21-17-23(2)13-8-4-6-10-15(13)25-17/h3-11H,1-2H3/q+1
InChIKey
HEFACGZSMCDDDM-UHFFFAOYSA-N
Compound name
N-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-N'-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.07996 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08724 174.5
[M+Na]+ 390.06918 190.4
[M+NH4]+ 385.11378 185.0
[M+K]+ 406.04312 181.5
[M-H]- 366.07268 183.9
[M+Na-2H]- 388.05463 185.2
[M]+ 367.07941 180.8
[M]- 367.08051 180.8
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.