CID 24212910

882863-70-9

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OCCCC(=O)N3CCN(CC3)C
InChI
InChI=1S/C19H24N2O4/c1-14-12-19(23)25-17-6-5-15(13-16(14)17)24-11-3-4-18(22)21-9-7-20(2)8-10-21/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKey
ICBZVZLLMSRDPT-UHFFFAOYSA-N
Compound name
4-methyl-6-[4-(4-methylpiperazin-1-yl)-4-oxobutoxy]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1736 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.180876 182.8
[M+Na]+ 367.162818 189.2
[M-H]- 343.166324 187.5
[M+NH4]+ 362.207423 192.9
[M+K]+ 383.136758 186.4
[M+H-H2O]+ 327.170860 172.5
[M+HCOO]- 389.171801 197.3
[M+CH3COO]- 403.187451 213.0
[M+Na-2H]- 365.148266 184.9
[M]+ 344.17305142 184.7
[M]- 344.17414858 184.7
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.