CID 3023236

Du 462

Structural Information

Molecular Formula
C18H21N3OS
SMILES
CN(C)CCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H21N3OS/c1-20(2)12-11-19-13-18(22)21-14-7-3-5-9-16(14)23-17-10-6-4-8-15(17)21/h3-10,19H,11-13H2,1-2H3
InChIKey
IWKJBPIKGPMUMY-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.14053 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14781 173.9
[M+Na]+ 350.12975 185.9
[M+NH4]+ 345.17435 182.9
[M+K]+ 366.10369 176.1
[M-H]- 326.13325 178.4
[M+Na-2H]- 348.11520 180.1
[M]+ 327.13998 177.3
[M]- 327.14108 177.3
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.