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]+ 303.133926 172.0
[M+Na]+ 325.115868 176.4
[M-H]- 301.119374 179.3
[M+NH4]+ 320.160473 185.9
[M+K]+ 341.089808 170.9
[M+H-H2O]+ 285.123910 168.9
[M+HCOO]- 347.124851 196.0
[M+CH3COO]- 361.140501 200.6
[M+Na-2H]- 323.101316 175.3
[M]+ 302.12610142 172.5
[M]- 302.12719858 172.5
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.