CID 6446691

N 775

Structural Information

Molecular Formula
C22H26N2OS
SMILES
CN1CCN(CC1)CC/C=C\2/C3=C(C=C(C=C3)OC)SC4=CC=CC=C42
InChI
InChI=1S/C22H26N2OS/c1-23-12-14-24(15-13-23)11-5-7-18-19-6-3-4-8-21(19)26-22-16-17(25-2)9-10-20(18)22/h3-4,6-10,16H,5,11-15H2,1-2H3/b18-7+
InChIKey
HZCAVQHEQMOPPF-CNHKJKLMSA-N
Compound name
1-[(3E)-3-(3-methoxythioxanthen-9-ylidene)propyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.17657 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18385 187.8
[M+Na]+ 389.16579 202.5
[M+NH4]+ 384.21039 197.3
[M+K]+ 405.13973 190.3
[M-H]- 365.16929 193.2
[M+Na-2H]- 387.15124 193.9
[M]+ 366.17602 192.1
[M]- 366.17712 192.1
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.