CID 3040850

Brn 1022239

Structural Information

Molecular Formula
C19H22N2OS2
SMILES
CC(C)SCCCNC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2OS2/c1-14(2)23-13-7-12-20-19(22)21-15-8-3-5-10-17(15)24-18-11-6-4-9-16(18)21/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,20,22)
InChIKey
IPVFNYOMQWISMS-UHFFFAOYSA-N
Compound name
N-(3-propan-2-ylsulfanylpropyl)phenothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.11737 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.12465 177.2
[M+Na]+ 381.10659 182.8
[M-H]- 357.11009 179.4
[M+NH4]+ 376.15119 191.1
[M+K]+ 397.08053 176.3
[M+H-H2O]+ 341.11463 169.9
[M+HCOO]- 403.11557 184.2
[M+CH3COO]- 417.13122 185.7
[M+Na-2H]- 379.09204 179.7
[M]+ 358.11682 180.1
[M]- 358.11792 180.1
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.