CID 3024937

Brn 0041721

Structural Information

Molecular Formula
C20H25N3OS
SMILES
CCN(CC)CCNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C20H25N3OS/c1-3-22(4-2)14-13-21-15-20(24)23-16-9-5-7-11-18(16)25-19-12-8-6-10-17(19)23/h5-12,21H,3-4,13-15H2,1-2H3
InChIKey
UPRAHISULZFIQU-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethylamino]-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.17184 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17912 182.0
[M+Na]+ 378.16106 186.6
[M-H]- 354.16456 185.8
[M+NH4]+ 373.20566 196.0
[M+K]+ 394.13500 181.7
[M+H-H2O]+ 338.16910 173.1
[M+HCOO]- 400.17004 196.4
[M+CH3COO]- 414.18569 222.8
[M+Na-2H]- 376.14651 185.8
[M]+ 355.17129 185.3
[M]- 355.17239 185.3
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.