CID 44498

63446-00-4

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CC1=C(OC2=C(C(=C(C=C12)OC)OC)OC)C(=O)N3CCN(CC3)C
InChI
InChI=1S/C18H24N2O5/c1-11-12-10-13(22-3)16(23-4)17(24-5)15(12)25-14(11)18(21)20-8-6-19(2)7-9-20/h10H,6-9H2,1-5H3
InChIKey
DRMGVOFQBPJBLK-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(5,6,7-trimethoxy-3-methyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.175796 181.7
[M+Na]+ 371.157738 190.7
[M-H]- 347.161244 188.0
[M+NH4]+ 366.202343 194.3
[M+K]+ 387.131678 189.4
[M+H-H2O]+ 331.165780 173.3
[M+HCOO]- 393.166721 198.8
[M+CH3COO]- 407.182371 214.9
[M+Na-2H]- 369.143186 181.4
[M]+ 348.16797142 188.6
[M]- 348.16906858 188.6
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.