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]+ 403.150876 189.0
[M+Na]+ 425.132818 194.5
[M-H]- 401.136324 190.9
[M+NH4]+ 420.177423 201.3
[M+K]+ 441.106758 187.6
[M+H-H2O]+ 385.140860 181.1
[M+HCOO]- 447.141801 196.5
[M+CH3COO]- 461.157451 223.9
[M+Na-2H]- 423.118266 191.1
[M]+ 402.14305142 194.8
[M]- 402.14414858 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.