CID 376973

Nsc658173

Structural Information

Molecular Formula
C29H25NS
SMILES
CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)S2)C5=CC=C(C=C5)C
InChI
InChI=1S/C29H25NS/c1-20-8-14-23(15-9-20)29(24-16-10-21(2)11-17-24)27-7-5-4-6-26(27)28(31-29)30-25-18-12-22(3)13-19-25/h4-19H,1-3H3
InChIKey
GRLXMHGPEVIRHI-UHFFFAOYSA-N
Compound name
N,3,3-tris(4-methylphenyl)-2-benzothiophen-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.17078 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17806 205.2
[M+Na]+ 442.16000 214.5
[M-H]- 418.16350 220.2
[M+NH4]+ 437.20460 221.0
[M+K]+ 458.13394 205.9
[M+H-H2O]+ 402.16804 195.0
[M+HCOO]- 464.16898 224.0
[M+CH3COO]- 478.18463 215.7
[M+Na-2H]- 440.14545 205.1
[M]+ 419.17023 207.2
[M]- 419.17133 207.2
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.