CID 11820878

1-[4-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]phenyl]-n-(2,2,2-trifluoroethoxy)methanimine

Structural Information

Molecular Formula
C21H25F3N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCC(F)(F)F
InChI
InChI=1S/C21H25F3N4O2/c1-16-2-7-20(27-26-16)28-11-8-17(9-12-28)10-13-29-19-5-3-18(4-6-19)14-25-30-15-21(22,23)24/h2-7,14,17H,8-13,15H2,1H3/b25-14+
InChIKey
UWKJXFKTUXSBEL-AFUMVMLFSA-N
Compound name
(E)-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-(2,2,2-trifluoroethoxy)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.19296 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.20024 202.8
[M+Na]+ 445.18218 207.5
[M-H]- 421.18568 204.3
[M+NH4]+ 440.22678 208.3
[M+K]+ 461.15612 201.4
[M+H-H2O]+ 405.19022 187.2
[M+HCOO]- 467.19116 215.7
[M+CH3COO]- 481.20681 229.0
[M+Na-2H]- 443.16763 204.3
[M]+ 422.19241 199.1
[M]- 422.19351 199.1
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.