CID 11820837

1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-piperidyl]ethoxy]phenyl]-n-methoxy-methanimine

Structural Information

Molecular Formula
C20H27N5O4
SMILES
COC1=NC(=NC(=N1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OC)OC
InChI
InChI=1S/C20H27N5O4/c1-26-19-22-18(23-20(24-19)27-2)25-11-8-15(9-12-25)10-13-29-17-6-4-16(5-7-17)14-21-28-3/h4-7,14-15H,8-13H2,1-3H3/b21-14+
InChIKey
DKKCJMUBWCQHRO-KGENOOAVSA-N
Compound name
(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-methoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.2063 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.21358 198.0
[M+Na]+ 424.19552 202.9
[M-H]- 400.19902 202.5
[M+NH4]+ 419.24012 203.0
[M+K]+ 440.16946 199.1
[M+H-H2O]+ 384.20356 184.0
[M+HCOO]- 446.20450 214.9
[M+CH3COO]- 460.22015 226.6
[M+Na-2H]- 422.18097 200.6
[M]+ 401.20575 201.2
[M]- 401.20685 201.2
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.