CID 34674

29722-83-6

Structural Information

Molecular Formula
C18H20N2OS
SMILES
CC(C)(C)NCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H20N2OS/c1-18(2,3)19-12-17(21)20-13-8-4-6-10-15(13)22-16-11-7-5-9-14(16)20/h4-11,19H,12H2,1-3H3
InChIKey
HKASNOLPGBNBLU-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 172.1
[M+Na]+ 335.11886 178.9
[M-H]- 311.12236 175.4
[M+NH4]+ 330.16346 187.9
[M+K]+ 351.09280 173.7
[M+H-H2O]+ 295.12690 164.8
[M+HCOO]- 357.12784 184.4
[M+CH3COO]- 371.14349 208.4
[M+Na-2H]- 333.10431 177.6
[M]+ 312.12909 173.7
[M]- 312.13019 173.7
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.