CID 53683

77563-12-3

Structural Information

Molecular Formula
C26H34N4O2S
SMILES
CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC)C(C)CN3CCN(CC3)CCC4=CC=CC=C4
InChI
InChI=1S/C26H34N4O2S/c1-4-25(31)30(22-10-11-23-24(18-22)33-26(27-23)32-3)20(2)19-29-16-14-28(15-17-29)13-12-21-8-6-5-7-9-21/h5-11,18,20H,4,12-17,19H2,1-3H3
InChIKey
DOMQPENVXOIOEZ-UHFFFAOYSA-N
Compound name
N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.24023 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.24751 210.8
[M+Na]+ 489.22945 222.5
[M+NH4]+ 484.27405 217.3
[M+K]+ 505.20339 214.9
[M-H]- 465.23295 215.9
[M+Na-2H]- 487.21490 217.5
[M]+ 466.23968 214.3
[M]- 466.24078 214.3
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.