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 189.0
[M+Na]+ 425.13282 194.5
[M-H]- 401.13632 190.9
[M+NH4]+ 420.17742 201.3
[M+K]+ 441.10676 187.6
[M+H-H2O]+ 385.14086 181.1
[M+HCOO]- 447.14180 196.5
[M+CH3COO]- 461.15745 223.9
[M+Na-2H]- 423.11827 191.1
[M]+ 402.14305 194.8
[M]- 402.14415 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.