CID 110669

Isopromethazine

Structural Information

Molecular Formula
C17H20N2S
SMILES
CC(CN(C)C)N1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H20N2S/c1-13(12-18(2)3)19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey
CGNHCKZJGQDWBG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-phenothiazin-10-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3095
References

333
Patents

284.1347 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 163.4
[M+Na]+ 307.12392 170.1
[M-H]- 283.12742 168.0
[M+NH4]+ 302.16852 180.9
[M+K]+ 323.09786 165.9
[M+H-H2O]+ 267.13196 155.4
[M+HCOO]- 329.13290 177.5
[M+CH3COO]- 343.14855 174.3
[M+Na-2H]- 305.10937 167.6
[M]+ 284.13415 165.7
[M]- 284.13525 165.7
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.