CID 3073402

N,n-bis(2-methylpropyl)-1-oxo-1h-2-benzopyran-4-carboxamide

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(C)CN(CC(C)C)C(=O)C1=COC(=O)C2=CC=CC=C21
InChI
InChI=1S/C18H23NO3/c1-12(2)9-19(10-13(3)4)17(20)16-11-22-18(21)15-8-6-5-7-14(15)16/h5-8,11-13H,9-10H2,1-4H3
InChIKey
KOXNYFIUKUJGRR-UHFFFAOYSA-N
Compound name
N,N-bis(2-methylpropyl)-1-oxoisochromene-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 172.6
[M+Na]+ 324.157018 178.4
[M-H]- 300.160524 178.8
[M+NH4]+ 319.201623 187.8
[M+K]+ 340.130958 178.0
[M+H-H2O]+ 284.165060 165.0
[M+HCOO]- 346.166001 192.6
[M+CH3COO]- 360.181651 213.1
[M+Na-2H]- 322.142466 174.6
[M]+ 301.16725142 177.3
[M]- 301.16834858 177.3
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.