CID 4126165

882079-80-3

Structural Information

Molecular Formula
C17H16ClN3O3
SMILES
C1CC2=CC=CC=C2N(C1)CC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H16ClN3O3/c18-14-8-7-13(10-16(14)21(23)24)19-17(22)11-20-9-3-5-12-4-1-2-6-15(12)20/h1-2,4,6-8,10H,3,5,9,11H2,(H,19,22)
InChIKey
GYDHRNGDUKYWCZ-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.088 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09528 176.9
[M+Na]+ 368.07722 181.6
[M-H]- 344.08072 181.9
[M+NH4]+ 363.12182 188.8
[M+K]+ 384.05116 172.2
[M+H-H2O]+ 328.08526 172.8
[M+HCOO]- 390.08620 192.4
[M+CH3COO]- 404.10185 206.8
[M+Na-2H]- 366.06267 182.6
[M]+ 345.08745 174.9
[M]- 345.08855 174.9
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.