CID 72599

13764-35-7

Structural Information

Molecular Formula
C19H22N2S3
SMILES
CCN(CC)CCSC(=S)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C19H22N2S3/c1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21/h5-12H,3-4,13-14H2,1-2H3
InChIKey
MICZDVBNDKRSSR-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl phenothiazine-10-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.0945 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10178 177.1
[M+Na]+ 397.08372 183.3
[M-H]- 373.08722 179.5
[M+NH4]+ 392.12832 191.0
[M+K]+ 413.05766 175.4
[M+H-H2O]+ 357.09176 170.1
[M+HCOO]- 419.09270 179.6
[M+CH3COO]- 433.10835 185.2
[M+Na-2H]- 395.06917 179.6
[M]+ 374.09395 179.8
[M]- 374.09505 179.8
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.