CID 459010

10-decyl-3-nitro-phenothiazine 5-oxide

Structural Information

Molecular Formula
C22H28N2O3S
SMILES
CCCCCCCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)C3=CC=CC=C31
InChI
InChI=1S/C22H28N2O3S/c1-2-3-4-5-6-7-8-11-16-23-19-12-9-10-13-21(19)28(27)22-17-18(24(25)26)14-15-20(22)23/h9-10,12-15,17H,2-8,11,16H2,1H3
InChIKey
DWOWFFJOJQZUOC-UHFFFAOYSA-N
Compound name
10-decyl-3-nitrophenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.18207 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.18935 195.4
[M+Na]+ 423.17129 200.1
[M-H]- 399.17479 197.9
[M+NH4]+ 418.21589 206.8
[M+K]+ 439.14523 189.5
[M+H-H2O]+ 383.17933 190.7
[M+HCOO]- 445.18027 208.4
[M+CH3COO]- 459.19592 219.4
[M+Na-2H]- 421.15674 198.7
[M]+ 400.18152 198.9
[M]- 400.18262 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.