CID 3089

Dimetotiazine

Structural Information

Molecular Formula
C19H25N3O2S2
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)S(=O)(=O)N(C)C)N(C)C
InChI
InChI=1S/C19H25N3O2S2/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5/h6-12,14H,13H2,1-5H3
InChIKey
VWNWVCJGUMZDIU-UHFFFAOYSA-N
Compound name
10-[2-(dimethylamino)propyl]-N,N-dimethylphenothiazine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

2566
Patents

391.13882 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.14610 186.0
[M+Na]+ 414.12804 196.4
[M+NH4]+ 409.17264 194.0
[M+K]+ 430.10198 187.2
[M-H]- 390.13154 189.4
[M+Na-2H]- 412.11349 191.2
[M]+ 391.13827 189.4
[M]- 391.13937 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe