CID 11820817

Benzaldehyde, 4-[2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-piperidinyl]ethoxy]-, o-ethyloxime

Structural Information

Molecular Formula
C19H23F3N4O2S
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(S3)C(F)(F)F
InChI
InChI=1S/C19H23F3N4O2S/c1-2-28-23-13-15-3-5-16(6-4-15)27-12-9-14-7-10-26(11-8-14)18-25-24-17(29-18)19(20,21)22/h3-6,13-14H,2,7-12H2,1H3/b23-13+
InChIKey
AFXRABMPIGUVQC-YDZHTSKRSA-N
Compound name
(E)-N-ethoxy-1-[4-[2-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]ethoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.14938 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.15666 198.1
[M+Na]+ 451.13860 204.1
[M-H]- 427.14210 200.5
[M+NH4]+ 446.18320 206.4
[M+K]+ 467.11254 198.3
[M+H-H2O]+ 411.14664 184.9
[M+HCOO]- 473.14758 208.3
[M+CH3COO]- 487.16323 226.3
[M+Na-2H]- 449.12405 195.9
[M]+ 428.14883 197.4
[M]- 428.14993 197.4
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.