CID 3039784

Brn 1023732

Structural Information

Molecular Formula
C18H22N4O2
SMILES
CCN(CC)CCN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C18H22N4O2/c1-4-21(5-2)11-12-22-18(23)17-15(13(3)24-20-17)16(19-22)14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3
InChIKey
FBUHHFYTZAKFJA-UHFFFAOYSA-N
Compound name
6-[2-(diethylamino)ethyl]-3-methyl-4-phenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 179.3
[M+Na]+ 349.16352 189.6
[M-H]- 325.16702 185.8
[M+NH4]+ 344.20812 191.6
[M+K]+ 365.13746 186.1
[M+H-H2O]+ 309.17156 168.9
[M+HCOO]- 371.17250 201.3
[M+CH3COO]- 385.18815 215.6
[M+Na-2H]- 347.14897 183.6
[M]+ 326.17375 186.9
[M]- 326.17485 186.9
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.