CID 53677

6-(1-methyl-2-(4-phenethylpiperazino)ethyl)amino-2-methoxy-benzothiazole oxalate

Structural Information

Molecular Formula
C23H30N4OS
SMILES
CC(CN1CCN(CC1)CCC2=CC=CC=C2)NC3=CC4=C(C=C3)N=C(S4)OC
InChI
InChI=1S/C23H30N4OS/c1-18(24-20-8-9-21-22(16-20)29-23(25-21)28-2)17-27-14-12-26(13-15-27)11-10-19-6-4-3-5-7-19/h3-9,16,18,24H,10-15,17H2,1-2H3
InChIKey
NEUFJBWLFUVVSU-UHFFFAOYSA-N
Compound name
2-methoxy-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21402 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22130 197.3
[M+Na]+ 433.20324 202.6
[M-H]- 409.20674 203.1
[M+NH4]+ 428.24784 206.6
[M+K]+ 449.17718 195.8
[M+H-H2O]+ 393.21128 186.5
[M+HCOO]- 455.21222 209.2
[M+CH3COO]- 469.22787 204.9
[M+Na-2H]- 431.18869 196.6
[M]+ 410.21347 198.8
[M]- 410.21457 198.8
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.