CID 373886

Nsc650878

Structural Information

Molecular Formula
C22H21NOS
SMILES
COC1=CC=C(C=C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42
InChI
InChI=1S/C22H21NOS/c1-24-18-14-12-17(13-15-18)7-6-16-23-19-8-2-4-10-21(19)25-22-11-5-3-9-20(22)23/h2-5,8-15H,6-7,16H2,1H3
InChIKey
OYUUBIPNHSMIAJ-UHFFFAOYSA-N
Compound name
10-[3-(4-methoxyphenyl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1344 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14168 180.6
[M+Na]+ 370.12362 188.4
[M-H]- 346.12712 186.9
[M+NH4]+ 365.16822 194.9
[M+K]+ 386.09756 181.4
[M+H-H2O]+ 330.13166 171.2
[M+HCOO]- 392.13260 194.4
[M+CH3COO]- 406.14825 190.6
[M+Na-2H]- 368.10907 185.1
[M]+ 347.13385 183.6
[M]- 347.13495 183.6
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.