CID 55155

2h-1-benzopyran-3-carboxamide, n-butyl-

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCCCNC(=O)C1=CC2=CC=CC=C2OC1
InChI
InChI=1S/C14H17NO2/c1-2-3-8-15-14(16)12-9-11-6-4-5-7-13(11)17-10-12/h4-7,9H,2-3,8,10H2,1H3,(H,15,16)
InChIKey
XDLFBDPWFMTIOW-UHFFFAOYSA-N
Compound name
N-butyl-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 152.5
[M+Na]+ 254.11515 158.4
[M-H]- 230.11865 157.1
[M+NH4]+ 249.15975 169.9
[M+K]+ 270.08909 156.5
[M+H-H2O]+ 214.12319 145.6
[M+HCOO]- 276.12413 173.7
[M+CH3COO]- 290.13978 193.6
[M+Na-2H]- 252.10060 159.6
[M]+ 231.12538 153.3
[M]- 231.12648 153.3
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.