CID 370816

Nsc644337

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC1(CC2C(O1)(CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C)OC
InChI
InChI=1S/C22H24N2O3/c1-21-14-18(16-10-6-4-7-11-16)23-24(19(21)15-22(2,26-3)27-21)20(25)17-12-8-5-9-13-17/h4-13,19H,14-15H2,1-3H3
InChIKey
NLFKESWQOLYPFY-UHFFFAOYSA-N
Compound name
(6-methoxy-4a,6-dimethyl-3-phenyl-7,7a-dihydro-4H-furo[3,2-c]pyridazin-1-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 187.8
[M+Na]+ 387.16790 195.3
[M-H]- 363.17140 196.3
[M+NH4]+ 382.21250 202.4
[M+K]+ 403.14184 192.0
[M+H-H2O]+ 347.17594 177.5
[M+HCOO]- 409.17688 203.2
[M+CH3COO]- 423.19253 197.8
[M+Na-2H]- 385.15335 190.3
[M]+ 364.17813 188.5
[M]- 364.17923 188.5
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.