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 173.3
[M+Na]+ 350.12975 178.7
[M-H]- 326.13325 177.5
[M+NH4]+ 345.17435 188.4
[M+K]+ 366.10369 174.3
[M+H-H2O]+ 310.13779 164.7
[M+HCOO]- 372.13873 188.4
[M+CH3COO]- 386.15438 216.9
[M+Na-2H]- 348.11520 178.0
[M]+ 327.13998 175.9
[M]- 327.14108 175.9
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

No patent data available for this compound.