CID 168806

10h-phenothiazine, 3,7-diisooctyl-

Structural Information

Molecular Formula
C28H41NS
SMILES
CC(C)CCCCCC1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)CCCCCC(C)C
InChI
InChI=1S/C28H41NS/c1-21(2)11-7-5-9-13-23-15-17-25-27(19-23)30-28-20-24(16-18-26(28)29-25)14-10-6-8-12-22(3)4/h15-22,29H,5-14H2,1-4H3
InChIKey
JPVMUULPJCDXNQ-UHFFFAOYSA-N
Compound name
3,7-bis(6-methylheptyl)-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

423.29596 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.30324 208.1
[M+Na]+ 446.28518 210.6
[M-H]- 422.28868 208.1
[M+NH4]+ 441.32978 218.9
[M+K]+ 462.25912 202.4
[M+H-H2O]+ 406.29322 199.2
[M+HCOO]- 468.29416 214.3
[M+CH3COO]- 482.30981 231.8
[M+Na-2H]- 444.27063 204.6
[M]+ 423.29541 211.4
[M]- 423.29651 211.4
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