CID 11820934

1-[4-[2-[1-(6-chloroquinoxalin-2-yl)-4-piperidyl]ethoxy]phenyl]-n-ethoxy-methanimine

Structural Information

Molecular Formula
C24H27ClN4O2
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=CN=C4C=C(C=CC4=N3)Cl
InChI
InChI=1S/C24H27ClN4O2/c1-2-31-27-16-19-3-6-21(7-4-19)30-14-11-18-9-12-29(13-10-18)24-17-26-23-15-20(25)5-8-22(23)28-24/h3-8,15-18H,2,9-14H2,1H3/b27-16+
InChIKey
CFEASSXNORKWFG-JVWAILMASA-N
Compound name
(E)-1-[4-[2-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.18225 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.18953 207.7
[M+Na]+ 461.17147 213.1
[M-H]- 437.17497 213.4
[M+NH4]+ 456.21607 214.3
[M+K]+ 477.14541 205.6
[M+H-H2O]+ 421.17951 193.8
[M+HCOO]- 483.18045 219.2
[M+CH3COO]- 497.19610 214.4
[M+Na-2H]- 459.15692 210.3
[M]+ 438.18170 209.8
[M]- 438.18280 209.8
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.