CID 3073402

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

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]+ 302.17508 172.6
[M+Na]+ 324.15702 178.4
[M-H]- 300.16052 178.8
[M+NH4]+ 319.20162 187.8
[M+K]+ 340.13096 178.0
[M+H-H2O]+ 284.16506 165.0
[M+HCOO]- 346.16600 192.6
[M+CH3COO]- 360.18165 213.1
[M+Na-2H]- 322.14247 174.6
[M]+ 301.16725 177.3
[M]- 301.16835 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.