CID 376972

Nsc658172

Structural Information

Molecular Formula
C26H19NS
SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5
InChI
InChI=1S/C26H19NS/c1-4-12-20(13-5-1)26(21-14-6-2-7-15-21)24-19-11-10-18-23(24)25(28-26)27-22-16-8-3-9-17-22/h1-19H
InChIKey
DPZATZZHSHMPRC-UHFFFAOYSA-N
Compound name
N,3,3-triphenyl-2-benzothiophen-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.1238 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13108 192.0
[M+Na]+ 400.11302 200.3
[M-H]- 376.11652 206.6
[M+NH4]+ 395.15762 208.7
[M+K]+ 416.08696 192.1
[M+H-H2O]+ 360.12106 182.0
[M+HCOO]- 422.12200 212.1
[M+CH3COO]- 436.13765 202.9
[M+Na-2H]- 398.09847 195.4
[M]+ 377.12325 191.9
[M]- 377.12435 191.9
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.