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]+ 327.181576 179.3
[M+Na]+ 349.163518 189.6
[M-H]- 325.167024 185.8
[M+NH4]+ 344.208123 191.6
[M+K]+ 365.137458 186.1
[M+H-H2O]+ 309.171560 168.9
[M+HCOO]- 371.172501 201.3
[M+CH3COO]- 385.188151 215.6
[M+Na-2H]- 347.148966 183.6
[M]+ 326.17375142 186.9
[M]- 326.17484858 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.