CID 11820819

Benzaldehyde, 4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C19H26N4O2S
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(S3)C
InChI
InChI=1S/C19H26N4O2S/c1-3-25-20-14-17-4-6-18(7-5-17)24-13-10-16-8-11-23(12-9-16)19-22-21-15(2)26-19/h4-7,14,16H,3,8-13H2,1-2H3/b20-14+
InChIKey
NIOHVGSHSUPQEV-XSFVSMFZSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

374.17764 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18492 189.1
[M+Na]+ 397.16686 194.7
[M-H]- 373.17036 195.4
[M+NH4]+ 392.21146 199.7
[M+K]+ 413.14080 189.8
[M+H-H2O]+ 357.17490 178.2
[M+HCOO]- 419.17584 204.0
[M+CH3COO]- 433.19149 218.7
[M+Na-2H]- 395.15231 187.5
[M]+ 374.17709 192.0
[M]- 374.17819 192.0
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

patents stripe