CID 3079070

4,5-dihydro-5-methyl-6-(4-(methylamino)-7-quinazolinyl)-3(2h)-pyridazinone

Structural Information

Molecular Formula
C14H15N5O
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)C(=NC=N3)NC
InChI
InChI=1S/C14H15N5O/c1-8-5-12(20)18-19-13(8)9-3-4-10-11(6-9)16-7-17-14(10)15-2/h3-4,6-8H,5H2,1-2H3,(H,18,20)(H,15,16,17)
InChIKey
MQSGWYLKTMXZLY-UHFFFAOYSA-N
Compound name
4-methyl-3-[4-(methylamino)quinazolin-7-yl]-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

269.12766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.134936 165.4
[M+Na]+ 292.116878 174.1
[M-H]- 268.120384 166.4
[M+NH4]+ 287.161483 176.4
[M+K]+ 308.090818 167.7
[M+H-H2O]+ 252.124920 154.9
[M+HCOO]- 314.125861 181.0
[M+CH3COO]- 328.141511 175.0
[M+Na-2H]- 290.102326 171.7
[M]+ 269.12711142 162.1
[M]- 269.12820858 162.1
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

patents stripe