CID 459377

10-dodecylphenothiazine

Structural Information

Molecular Formula
C24H33NS
SMILES
CCCCCCCCCCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C24H33NS/c1-2-3-4-5-6-7-8-9-10-15-20-25-21-16-11-13-18-23(21)26-24-19-14-12-17-22(24)25/h11-14,16-19H,2-10,15,20H2,1H3
InChIKey
LLLJAYXRHGSUEZ-UHFFFAOYSA-N
Compound name
10-dodecylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

367.23337 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.24065 190.3
[M+Na]+ 390.22259 195.0
[M-H]- 366.22609 192.1
[M+NH4]+ 385.26719 204.2
[M+K]+ 406.19653 187.4
[M+H-H2O]+ 350.23063 181.2
[M+HCOO]- 412.23157 201.7
[M+CH3COO]- 426.24722 219.9
[M+Na-2H]- 388.20804 191.9
[M]+ 367.23282 194.8
[M]- 367.23392 194.8
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