CID 82713

10538-33-7

Structural Information

Molecular Formula
C28H41NS
SMILES
CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=C3)C(C)(C)CC(C)(C)C
InChI
InChI=1S/C28H41NS/c1-25(2,3)17-27(7,8)19-11-13-21-23(15-19)30-24-16-20(12-14-22(24)29-21)28(9,10)18-26(4,5)6/h11-16,29H,17-18H2,1-10H3
InChIKey
VZXJHQBFMJESBV-UHFFFAOYSA-N
Compound name
3,7-bis(2,4,4-trimethylpentan-2-yl)-10H-phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

289
Patents

423.29596 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.30324 209.9
[M+Na]+ 446.28518 214.4
[M-H]- 422.28868 211.0
[M+NH4]+ 441.32978 221.4
[M+K]+ 462.25912 208.1
[M+H-H2O]+ 406.29322 203.0
[M+HCOO]- 468.29416 212.1
[M+CH3COO]- 482.30981 231.2
[M+Na-2H]- 444.27063 213.0
[M]+ 423.29541 212.4
[M]- 423.29651 212.4
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