CID 75981

Brn 1087807

Structural Information

Molecular Formula
C18H21ClN2OS
SMILES
CN(C)CCCN1C2=C(C=CC(=C2)OC)SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2OS/c1-20(2)9-4-10-21-15-11-13(19)5-7-17(15)23-18-8-6-14(22-3)12-16(18)21/h5-8,11-12H,4,9-10H2,1-3H3
InChIKey
PHFGHPHFFRTZMF-UHFFFAOYSA-N
Compound name
3-(2-chloro-8-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.10632 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11360 178.8
[M+Na]+ 371.09554 194.0
[M+NH4]+ 366.14014 189.0
[M+K]+ 387.06948 182.4
[M-H]- 347.09904 183.7
[M+Na-2H]- 369.08099 185.1
[M]+ 348.10577 183.4
[M]- 348.10687 183.4
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.