CID 102396363

1203707-77-0

Structural Information

Molecular Formula
C18H14N4S
SMILES
C1=CC(=CC=C1C2=CC=C(C3=NSN=C23)C4=CC=C(C=C4)N)N
InChI
InChI=1S/C18H14N4S/c19-13-5-1-11(2-6-13)15-9-10-16(18-17(15)21-23-22-18)12-3-7-14(20)8-4-12/h1-10H,19-20H2
InChIKey
JVODNHZESHSUJN-UHFFFAOYSA-N
Compound name
4-[4-(4-aminophenyl)-2,1,3-benzothiadiazol-7-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

318.0939 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10118 170.6
[M+Na]+ 341.08312 187.0
[M+NH4]+ 336.12772 180.1
[M+K]+ 357.05706 178.0
[M-H]- 317.08662 178.8
[M+Na-2H]- 339.06857 181.8
[M]+ 318.09335 175.9
[M]- 318.09445 175.9
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