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]+ 327.152576 176.6
[M+Na]+ 349.134518 182.9
[M-H]- 325.138024 179.7
[M+NH4]+ 344.179123 191.8
[M+K]+ 365.108458 177.5
[M+H-H2O]+ 309.142560 169.0
[M+HCOO]- 371.143501 188.4
[M+CH3COO]- 385.159151 211.3
[M+Na-2H]- 347.119966 181.5
[M]+ 326.14475142 178.5
[M]- 326.14584858 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.