CID 80143

3,7-dioctyl-10h-phenothiazine

Structural Information

Molecular Formula
C28H41NS
SMILES
CCCCCCCCC1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)CCCCCCCC
InChI
InChI=1S/C28H41NS/c1-3-5-7-9-11-13-15-23-17-19-25-27(21-23)30-28-22-24(18-20-26(28)29-25)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3
InChIKey
STGFANHLXUILNY-UHFFFAOYSA-N
Compound name
3,7-dioctyl-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2214
Patents

423.29596 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.30324 207.2
[M+Na]+ 446.28518 210.4
[M-H]- 422.28868 207.1
[M+NH4]+ 441.32978 218.2
[M+K]+ 462.25912 201.1
[M+H-H2O]+ 406.29322 197.8
[M+HCOO]- 468.29416 215.6
[M+CH3COO]- 482.30981 230.2
[M+Na-2H]- 444.27063 205.8
[M]+ 423.29541 211.6
[M]- 423.29651 211.6
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