CID 251560

3-(n-(2-naphthyl)-n-phenylaminomethyl)benzothiazole-2(3h)-thione

Structural Information

Molecular Formula
C24H18N2S2
SMILES
C1=CC=C(C=C1)N(CN2C3=CC=CC=C3SC2=S)C4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C24H18N2S2/c27-24-26(22-12-6-7-13-23(22)28-24)17-25(20-10-2-1-3-11-20)21-15-14-18-8-4-5-9-19(18)16-21/h1-16H,17H2
InChIKey
IAMQAIKSGMHQQD-UHFFFAOYSA-N
Compound name
3-[(N-naphthalen-2-ylanilino)methyl]-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.09116 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09844 190.7
[M+Na]+ 421.08038 201.8
[M-H]- 397.08388 202.3
[M+NH4]+ 416.12498 205.6
[M+K]+ 437.05432 193.1
[M+H-H2O]+ 381.08842 182.6
[M+HCOO]- 443.08936 205.3
[M+CH3COO]- 457.10501 201.6
[M+Na-2H]- 419.06583 194.5
[M]+ 398.09061 195.6
[M]- 398.09171 195.6
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.