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]+ 342.16348 178.8
[M+Na]+ 364.14542 183.8
[M-H]- 340.14892 184.2
[M+NH4]+ 359.19002 193.9
[M+K]+ 380.11936 180.6
[M+H-H2O]+ 324.15346 169.8
[M+HCOO]- 386.15440 193.9
[M+CH3COO]- 400.17005 223.1
[M+Na-2H]- 362.13087 182.2
[M]+ 341.15565 182.9
[M]- 341.15675 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