CID 77344

3741-80-8

Structural Information

Molecular Formula
C18H17N3S4
SMILES
CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3
InChI
InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3
InChIKey
VILGDADBAQFRJE-UHFFFAOYSA-N
Compound name
N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2971
Patents

403.03052 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.03780 180.1
[M+Na]+ 426.01974 192.7
[M+NH4]+ 421.06434 190.2
[M+K]+ 441.99368 181.5
[M-H]- 402.02324 185.6
[M+Na-2H]- 424.00519 186.7
[M]+ 403.02997 185.6
[M]- 403.03107 185.6
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