CID 11820818

N-ethoxy-1-[2-[2-[1-(6-methylpyridazin-3-yl)-4-piperidyl]ethoxy]thiazol-4-yl]methanimine

Structural Information

Molecular Formula
C18H25N5O2S
SMILES
CCO/N=C/C1=CSC(=N1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C18H25N5O2S/c1-3-25-19-12-16-13-26-18(20-16)24-11-8-15-6-9-23(10-7-15)17-5-4-14(2)21-22-17/h4-5,12-13,15H,3,6-11H2,1-2H3/b19-12+
InChIKey
QENLEMNSJYGDDQ-XDHOZWIPSA-N
Compound name
(E)-N-ethoxy-1-[2-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-thiazol-4-yl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.18016 188.5
[M+Na]+ 398.16210 194.6
[M-H]- 374.16560 193.7
[M+NH4]+ 393.20670 197.7
[M+K]+ 414.13604 189.6
[M+H-H2O]+ 358.17014 177.1
[M+HCOO]- 420.17108 202.4
[M+CH3COO]- 434.18673 218.5
[M+Na-2H]- 396.14755 187.3
[M]+ 375.17233 191.5
[M]- 375.17343 191.5
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

patents stripe