CID 11820841

1-[4-[2-[1-(1,3-benzothiazol-2-yl)-4-piperidyl]ethoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C23H27N3O2S
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC4=CC=CC=C4S3
InChI
InChI=1S/C23H27N3O2S/c1-2-28-24-17-19-7-9-20(10-8-19)27-16-13-18-11-14-26(15-12-18)23-25-21-5-3-4-6-22(21)29-23/h3-10,17-18H,2,11-16H2,1H3/b24-17+
InChIKey
NWQQCRDMIQMNQC-JJIBRWJFSA-N
Compound name
(E)-1-[4-[2-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1824 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18968 197.4
[M+Na]+ 432.17162 203.6
[M-H]- 408.17512 205.8
[M+NH4]+ 427.21622 208.8
[M+K]+ 448.14556 197.4
[M+H-H2O]+ 392.17966 186.7
[M+HCOO]- 454.18060 213.5
[M+CH3COO]- 468.19625 206.3
[M+Na-2H]- 430.15707 198.0
[M]+ 409.18185 201.3
[M]- 409.18295 201.3
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.