CID 174406

85030-22-4

Structural Information

Molecular Formula
C15H15N4S
SMILES
CC1=C(C=CC(=C1)N)N=NC2=[N+](C3=CC=CC=C3S2)C
InChI
InChI=1S/C15H14N4S/c1-10-9-11(16)7-8-12(10)17-18-15-19(2)13-5-3-4-6-14(13)20-15/h3-9,16H,1-2H3/p+1
InChIKey
UHBPECNWBYQLGF-UHFFFAOYSA-O
Compound name
3-methyl-4-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.10175 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.10903 161.3
[M+Na]+ 306.09097 172.4
[M-H]- 282.09447 171.6
[M+NH4]+ 301.13557 179.9
[M+K]+ 322.06491 161.6
[M+H-H2O]+ 266.09901 155.8
[M+HCOO]- 328.09995 186.2
[M+CH3COO]- 342.11560 203.9
[M+Na-2H]- 304.07642 168.8
[M]+ 283.10120 164.7
[M]- 283.10230 164.7
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.