CID 3040864

Brn 1170209

Structural Information

Molecular Formula
C21H26N2O2S2
SMILES
CCCCCSCCNC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
InChI
InChI=1S/C21H26N2O2S2/c1-3-4-7-13-26-14-12-22-21(24)23-17-8-5-6-9-19(17)27-20-11-10-16(25-2)15-18(20)23/h5-6,8-11,15H,3-4,7,12-14H2,1-2H3,(H,22,24)
InChIKey
YMSPLWFXCCBZNS-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-pentylsulfanylethyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1436 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15088 189.9
[M+Na]+ 425.13282 201.4
[M+NH4]+ 420.17742 198.3
[M+K]+ 441.10676 189.2
[M-H]- 401.13632 193.4
[M+Na-2H]- 423.11827 194.3
[M]+ 402.14305 193.5
[M]- 402.14415 193.5
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.