CID 65535

Diethazine

Structural Information

Molecular Formula
C18H22N2S
SMILES
CCN(CC)CCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3
InChIKey
LURMIKVZJSMXQE-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-phenothiazin-10-ylethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

672
Patents

298.15036 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15764 167.6
[M+Na]+ 321.13958 174.2
[M-H]- 297.14308 171.9
[M+NH4]+ 316.18418 184.6
[M+K]+ 337.11352 169.3
[M+H-H2O]+ 281.14762 159.2
[M+HCOO]- 343.14856 182.4
[M+CH3COO]- 357.16421 178.2
[M+Na-2H]- 319.12503 172.3
[M]+ 298.14981 170.8
[M]- 298.15091 170.8
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.