CID 11820884

Benzaldehyde, 4-[4-[4-(6-methyl-3-pyridazinyl)-1-piperazinyl]butoxy]-, o-methyloxime

Structural Information

Molecular Formula
C21H29N5O2
SMILES
CC1=NN=C(C=C1)N2CCN(CC2)CCCCOC3=CC=C(C=C3)/C=N/OC
InChI
InChI=1S/C21H29N5O2/c1-18-5-10-21(24-23-18)26-14-12-25(13-15-26)11-3-4-16-28-20-8-6-19(7-9-20)17-22-27-2/h5-10,17H,3-4,11-16H2,1-2H3/b22-17+
InChIKey
CQLOKZCJCLOQKN-OQKWZONESA-N
Compound name
(E)-N-methoxy-1-[4-[4-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butoxy]phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.23212 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23940 196.6
[M+Na]+ 406.22134 200.6
[M-H]- 382.22484 200.5
[M+NH4]+ 401.26594 202.3
[M+K]+ 422.19528 195.1
[M+H-H2O]+ 366.22938 182.5
[M+HCOO]- 428.23032 212.9
[M+CH3COO]- 442.24597 224.1
[M+Na-2H]- 404.20679 199.2
[M]+ 383.23157 197.0
[M]- 383.23267 197.0
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.