CID 11820838

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

Structural Information

Molecular Formula
C21H29N5O4
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NC(=NC(=N3)OC)OC
InChI
InChI=1S/C21H29N5O4/c1-4-30-22-15-17-5-7-18(8-6-17)29-14-11-16-9-12-26(13-10-16)19-23-20(27-2)25-21(24-19)28-3/h5-8,15-16H,4,9-14H2,1-3H3/b22-15+
InChIKey
FVZCBFBGCQOCLY-PXLXIMEGSA-N
Compound name
(E)-1-[4-[2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethoxy]phenyl]-N-ethoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.22195 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.22923 202.1
[M+Na]+ 438.21117 206.5
[M-H]- 414.21467 206.5
[M+NH4]+ 433.25577 206.5
[M+K]+ 454.18511 202.6
[M+H-H2O]+ 398.21921 188.0
[M+HCOO]- 460.22015 218.7
[M+CH3COO]- 474.23580 229.5
[M+Na-2H]- 436.19662 204.3
[M]+ 415.22140 205.7
[M]- 415.22250 205.7
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.