CID 24208991

853329-41-6

Structural Information

Molecular Formula
C20H18N2O4
SMILES
CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O4/c1-14-4-2-6-16(12-14)21-20(23)11-9-18-8-10-19(26-18)15-5-3-7-17(13-15)22(24)25/h2-8,10,12-13H,9,11H2,1H3,(H,21,23)
InChIKey
UTIGQHZABHSJDS-UHFFFAOYSA-N
Compound name
N-(3-methylphenyl)-3-[5-(3-nitrophenyl)furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13393 183.9
[M+Na]+ 373.11587 188.5
[M-H]- 349.11937 194.4
[M+NH4]+ 368.16047 195.4
[M+K]+ 389.08981 181.3
[M+H-H2O]+ 333.12391 179.3
[M+HCOO]- 395.12485 208.7
[M+CH3COO]- 409.14050 209.1
[M+Na-2H]- 371.10132 187.8
[M]+ 350.12610 184.2
[M]- 350.12720 184.2
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.