CID 674222

10268-50-5

Structural Information

Molecular Formula
C17H18N2O5
SMILES
COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C17H18N2O5/c1-23-15-8-3-12(11-16(15)24-2)9-10-18-17(20)13-4-6-14(7-5-13)19(21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKey
KDOHTODTTGVPNS-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

330.12158 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12886 175.2
[M+Na]+ 353.11080 188.0
[M+NH4]+ 348.15540 181.4
[M+K]+ 369.08474 184.4
[M-H]- 329.11430 180.0
[M+Na-2H]- 351.09625 182.0
[M]+ 330.12103 178.1
[M]- 330.12213 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.