CID 66764

Benzenamine, 4-(6-methyl[2,6'-bibenzothiazol]-2'-yl)-

Structural Information

Molecular Formula
C21H15N3S2
SMILES
CC1=CC2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(S4)C5=CC=C(C=C5)N
InChI
InChI=1S/C21H15N3S2/c1-12-2-8-16-18(10-12)25-21(24-16)14-5-9-17-19(11-14)26-20(23-17)13-3-6-15(22)7-4-13/h2-11H,22H2,1H3
InChIKey
YLEIZZYNXHCGKG-UHFFFAOYSA-N
Compound name
4-[6-(6-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

373.07074 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.078016 183.9
[M+Na]+ 396.059958 199.2
[M-H]- 372.063464 195.0
[M+NH4]+ 391.104563 200.8
[M+K]+ 412.033898 190.4
[M+H-H2O]+ 356.068000 178.0
[M+HCOO]- 418.068941 199.7
[M+CH3COO]- 432.084591 196.5
[M+Na-2H]- 394.045406 185.2
[M]+ 373.07019142 190.9
[M]- 373.07128858 190.9
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