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]+ 327.18158 180.8
[M+Na]+ 349.16352 187.7
[M-H]- 325.16702 184.6
[M+NH4]+ 344.20812 188.8
[M+K]+ 365.13746 182.1
[M+H-H2O]+ 309.17156 168.7
[M+HCOO]- 371.17250 194.9
[M+CH3COO]- 385.18815 209.5
[M+Na-2H]- 347.14897 182.0
[M]+ 326.17375 178.4
[M]- 326.17485 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.