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]+ 313.136916 172.1
[M+Na]+ 335.118858 178.9
[M-H]- 311.122364 175.4
[M+NH4]+ 330.163463 187.9
[M+K]+ 351.092798 173.7
[M+H-H2O]+ 295.126900 164.8
[M+HCOO]- 357.127841 184.4
[M+CH3COO]- 371.143491 208.4
[M+Na-2H]- 333.104306 177.6
[M]+ 312.12909142 173.7
[M]- 312.13018858 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.