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]+ 349.17580 181.7
[M+Na]+ 371.15774 190.7
[M-H]- 347.16124 188.0
[M+NH4]+ 366.20234 194.3
[M+K]+ 387.13168 189.4
[M+H-H2O]+ 331.16578 173.3
[M+HCOO]- 393.16672 198.8
[M+CH3COO]- 407.18237 214.9
[M+Na-2H]- 369.14319 181.4
[M]+ 348.16797 188.6
[M]- 348.16907 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.