CID 122410

29573-80-6

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC(C)(C)NCCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2OS/c1-19(2,3)20-13-12-18(22)21-14-8-4-6-10-16(14)23-17-11-7-5-9-15(17)21/h4-11,20H,12-13H2,1-3H3
InChIKey
QXLHSTVMQMJJET-UHFFFAOYSA-N
Compound name
3-(tert-butylamino)-1-phenothiazin-10-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 176.6
[M+Na]+ 349.13452 182.9
[M-H]- 325.13802 179.7
[M+NH4]+ 344.17912 191.8
[M+K]+ 365.10846 177.5
[M+H-H2O]+ 309.14256 169.0
[M+HCOO]- 371.14350 188.4
[M+CH3COO]- 385.15915 211.3
[M+Na-2H]- 347.11997 181.5
[M]+ 326.14475 178.5
[M]- 326.14585 178.5
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.