CID 633969

8h-dinaphtho[2,3-c:2',3'-h]phenothiazine

Structural Information

Molecular Formula
C28H17NS
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3SC5=C(N4)C=CC6=CC7=CC=CC=C7C=C65
InChI
InChI=1S/C28H17NS/c1-3-7-19-15-23-21(13-17(19)5-1)9-11-25-27(23)30-28-24-16-20-8-4-2-6-18(20)14-22(24)10-12-26(28)29-25/h1-16,29H
InChIKey
OWWUCHZBNNZIOC-UHFFFAOYSA-N
Compound name
2-thia-17-azaheptacyclo[16.12.0.03,16.04,13.06,11.021,30.023,28]triaconta-1(18),3(16),4,6,8,10,12,14,19,21,23,25,27,29-tetradecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1082 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.11548 191.6
[M+Na]+ 422.09742 214.5
[M+NH4]+ 417.14202 205.1
[M+K]+ 438.07136 198.2
[M-H]- 398.10092 200.7
[M+Na-2H]- 420.08287 201.8
[M]+ 399.10765 198.9
[M]- 399.10875 198.9
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

No patent data available for this compound.