CID 3024508

Ucb 7

Structural Information

Molecular Formula
C19H23N3OS
SMILES
CN(C)CCN(C)CC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H23N3OS/c1-20(2)12-13-21(3)14-19(23)22-15-8-4-6-10-17(15)24-18-11-7-5-9-16(18)22/h4-11H,12-14H2,1-3H3
InChIKey
AXKCZGIBVNCQJN-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl-methylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.1562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.163476 178.8
[M+Na]+ 364.145418 183.8
[M-H]- 340.148924 184.2
[M+NH4]+ 359.190023 193.9
[M+K]+ 380.119358 180.6
[M+H-H2O]+ 324.153460 169.8
[M+HCOO]- 386.154401 193.9
[M+CH3COO]- 400.170051 223.1
[M+Na-2H]- 362.130866 182.2
[M]+ 341.15565142 182.9
[M]- 341.15674858 182.9
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

patents stripe