CID 11820898

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

Structural Information

Molecular Formula
C22H26N4O2
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC=C(C=C3)/C=N/OCC#C
InChI
InChI=1S/C22H26N4O2/c1-3-15-28-23-17-20-5-7-21(8-6-20)27-16-12-19-10-13-26(14-11-19)22-9-4-18(2)24-25-22/h1,4-9,17,19H,10-16H2,2H3/b23-17+
InChIKey
RWRZAOMFMYEWIY-HAVVHWLPSA-N
Compound name
(E)-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]-N-prop-2-ynoxymethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.20557 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.21285 188.4
[M+Na]+ 401.19479 194.5
[M-H]- 377.19829 189.9
[M+NH4]+ 396.23939 193.9
[M+K]+ 417.16873 186.7
[M+H-H2O]+ 361.20283 169.2
[M+HCOO]- 423.20377 200.0
[M+CH3COO]- 437.21942 226.3
[M+Na-2H]- 399.18024 189.2
[M]+ 378.20502 181.9
[M]- 378.20612 181.9
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.