CID 127912

1192u90

Structural Information

Molecular Formula
C22H27N5OS
SMILES
C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2N)C3=NSC4=CC=CC=C43
InChI
InChI=1S/C22H27N5OS/c23-19-9-3-1-7-17(19)22(28)24-11-5-6-12-26-13-15-27(16-14-26)21-18-8-2-4-10-20(18)29-25-21/h1-4,7-10H,5-6,11-16,23H2,(H,24,28)
InChIKey
GMDXHLCLNHCEIC-UHFFFAOYSA-N
Compound name
2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

409.19363 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20091 195.1
[M+Na]+ 432.18285 206.8
[M+NH4]+ 427.22745 202.1
[M+K]+ 448.15679 198.8
[M-H]- 408.18635 200.8
[M+Na-2H]- 430.16830 202.4
[M]+ 409.19308 198.6
[M]- 409.19418 198.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe