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]+ 384.239396 196.6
[M+Na]+ 406.221338 200.6
[M-H]- 382.224844 200.5
[M+NH4]+ 401.265943 202.3
[M+K]+ 422.195278 195.1
[M+H-H2O]+ 366.229380 182.5
[M+HCOO]- 428.230321 212.9
[M+CH3COO]- 442.245971 224.1
[M+Na-2H]- 404.206786 199.2
[M]+ 383.23157142 197.0
[M]- 383.23266858 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.