CID 3512309

882079-84-7

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O3/c21-17(18-14-8-2-4-10-16(14)20(22)23)12-19-11-5-7-13-6-1-3-9-15(13)19/h1-4,6,8-10H,5,7,11-12H2,(H,18,21)
InChIKey
QPBIXFJZKOVURN-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

311.12698 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 168.7
[M+Na]+ 334.11620 172.1
[M-H]- 310.11970 173.9
[M+NH4]+ 329.16080 180.9
[M+K]+ 350.09014 163.9
[M+H-H2O]+ 294.12424 163.7
[M+HCOO]- 356.12518 188.9
[M+CH3COO]- 370.14083 202.0
[M+Na-2H]- 332.10165 175.8
[M]+ 311.12643 163.9
[M]- 311.12753 163.9
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.