CID 3680113

10-(4-biphenylyl)phenothiazine

Structural Information

Molecular Formula
C24H17NS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C24H17NS/c1-2-8-18(9-3-1)19-14-16-20(17-15-19)25-21-10-4-6-12-23(21)26-24-13-7-5-11-22(24)25/h1-17H
InChIKey
SWHBTZNMYNDGCA-UHFFFAOYSA-N
Compound name
10-(4-phenylphenyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

351.1082 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11548 181.1
[M+Na]+ 374.09742 189.7
[M-H]- 350.10092 190.4
[M+NH4]+ 369.14202 194.5
[M+K]+ 390.07136 181.0
[M+H-H2O]+ 334.10546 170.6
[M+HCOO]- 396.10640 195.2
[M+CH3COO]- 410.12205 191.1
[M+Na-2H]- 372.08287 186.7
[M]+ 351.10765 180.5
[M]- 351.10875 180.5
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

patents stripe