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

1
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

literature stripe

Patent stripe

patents stripe