CID 3056875

Brn 0343397

Structural Information

Molecular Formula
C23H17N3OS
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=NC5=CC=CC=C5S4
InChI
InChI=1S/C23H17N3OS/c27-22-17(13-12-16-9-6-14-24-21(16)22)20(15-7-2-1-3-8-15)26-23-25-18-10-4-5-11-19(18)28-23/h1-14,20,27H,(H,25,26)
InChIKey
RVEAMUTXPUACCQ-UHFFFAOYSA-N
Compound name
7-[(1,3-benzothiazol-2-ylamino)-phenylmethyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

383.10922 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11650 186.7
[M+Na]+ 406.09844 204.1
[M+NH4]+ 401.14304 196.4
[M+K]+ 422.07238 194.0
[M-H]- 382.10194 194.7
[M+Na-2H]- 404.08389 198.1
[M]+ 383.10867 192.2
[M]- 383.10977 192.2
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