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 213.6
[M+Na]+ 489.22945 217.1
[M-H]- 465.23295 220.4
[M+NH4]+ 484.27405 220.8
[M+K]+ 505.20339 211.9
[M+H-H2O]+ 449.23749 202.3
[M+HCOO]- 511.23843 224.2
[M+CH3COO]- 525.25408 220.0
[M+Na-2H]- 487.21490 210.1
[M]+ 466.23968 217.3
[M]- 466.24078 217.3
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.