CID 3346720

618070-04-5

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H22N4O2/c1-14-3-5-15(6-4-14)16-7-8-17(23)22(19-16)13-18(24)21-11-9-20(2)10-12-21/h3-8H,9-13H2,1-2H3
InChIKey
VONKLJWRJVFOST-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.181576 180.8
[M+Na]+ 349.163518 187.7
[M-H]- 325.167024 184.6
[M+NH4]+ 344.208123 188.8
[M+K]+ 365.137458 182.1
[M+H-H2O]+ 309.171560 168.7
[M+HCOO]- 371.172501 194.9
[M+CH3COO]- 385.188151 209.5
[M+Na-2H]- 347.148966 182.0
[M]+ 326.17375142 178.4
[M]- 326.17484858 178.4
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.