CID 130152

Kf 15232

Structural Information

Molecular Formula
C20H19N5O
SMILES
CC1CC(=O)NN=C1C2=CC3=C(C=C2)C(=NC=N3)NCC4=CC=CC=C4
InChI
InChI=1S/C20H19N5O/c1-13-9-18(26)24-25-19(13)15-7-8-16-17(10-15)22-12-23-20(16)21-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)(H,21,22,23)
InChIKey
KJCLPXFGPVCAKL-UHFFFAOYSA-N
Compound name
3-[4-(benzylamino)quinazolin-7-yl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

345.15897 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.16625 185.2
[M+Na]+ 368.14819 192.4
[M-H]- 344.15169 188.6
[M+NH4]+ 363.19279 192.2
[M+K]+ 384.12213 183.8
[M+H-H2O]+ 328.15623 172.5
[M+HCOO]- 390.15717 199.8
[M+CH3COO]- 404.17282 192.9
[M+Na-2H]- 366.13364 190.9
[M]+ 345.15842 181.1
[M]- 345.15952 181.1
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

No patent data available for this compound.