CID 3041657

2h-1-benzopyran-2-one, 4-methyl-7-(3-(1-piperidinyl)propoxy)-

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCCCN3CCCCC3
InChI
InChI=1S/C18H23NO3/c1-14-12-18(20)22-17-13-15(6-7-16(14)17)21-11-5-10-19-8-3-2-4-9-19/h6-7,12-13H,2-5,8-11H2,1H3
InChIKey
DSTDFQUMCKIYSX-UHFFFAOYSA-N
Compound name
4-methyl-7-(3-piperidin-1-ylpropoxy)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 171.0
[M+Na]+ 324.15702 177.1
[M-H]- 300.16052 176.9
[M+NH4]+ 319.20162 184.2
[M+K]+ 340.13096 174.1
[M+H-H2O]+ 284.16506 161.6
[M+HCOO]- 346.16600 187.9
[M+CH3COO]- 360.18165 204.3
[M+Na-2H]- 322.14247 175.5
[M]+ 301.16725 171.6
[M]- 301.16835 171.6
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

patents stripe