CID 11820839

1-[4-[2-[1-(5-chloropyrimidin-2-yl)-4-piperidyl]ethoxy]phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C19H23ClN4O2
SMILES
CO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC=C(C=N3)Cl
InChI
InChI=1S/C19H23ClN4O2/c1-25-23-12-16-2-4-18(5-3-16)26-11-8-15-6-9-24(10-7-15)19-21-13-17(20)14-22-19/h2-5,12-15H,6-11H2,1H3/b23-12+
InChIKey
MREXJZVOTRFLMV-FSJBWODESA-N
Compound name
(E)-1-[4-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.15094 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15822 189.5
[M+Na]+ 397.14016 195.1
[M-H]- 373.14366 194.8
[M+NH4]+ 392.18476 197.9
[M+K]+ 413.11410 189.1
[M+H-H2O]+ 357.14820 176.8
[M+HCOO]- 419.14914 203.2
[M+CH3COO]- 433.16479 219.0
[M+Na-2H]- 395.12561 192.5
[M]+ 374.15039 191.0
[M]- 374.15149 191.0
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

No patent data available for this compound.