CID 4927

Promethazine

Structural Information

Molecular Formula
C17H20N2S
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
InChI
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3
InChIKey
PWWVAXIEGOYWEE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3611
References

65174
Patents

284.1347 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 163.4
[M+Na]+ 307.12392 177.4
[M+NH4]+ 302.16852 174.1
[M+K]+ 323.09786 167.0
[M-H]- 283.12742 168.6
[M+Na-2H]- 305.10937 170.6
[M]+ 284.13415 167.6
[M]- 284.13525 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe