CID 24209007

853330-19-5

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(C)NC(=O)CCC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H18N2O4/c1-11(2)17-16(19)9-7-14-6-8-15(22-14)12-4-3-5-13(10-12)18(20)21/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,19)
InChIKey
QKOTXECLPFPLLQ-UHFFFAOYSA-N
Compound name
3-[5-(3-nitrophenyl)furan-2-yl]-N-propan-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 170.1
[M+Na]+ 325.11587 181.2
[M+NH4]+ 320.16047 176.4
[M+K]+ 341.08981 180.5
[M-H]- 301.11937 175.5
[M+Na-2H]- 323.10132 175.0
[M]+ 302.12610 172.8
[M]- 302.12720 172.8
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.