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]+ 346.095276 176.9
[M+Na]+ 368.077218 181.6
[M-H]- 344.080724 181.9
[M+NH4]+ 363.121823 188.8
[M+K]+ 384.051158 172.2
[M+H-H2O]+ 328.085260 172.8
[M+HCOO]- 390.086201 192.4
[M+CH3COO]- 404.101851 206.8
[M+Na-2H]- 366.062666 182.6
[M]+ 345.08745142 174.9
[M]- 345.08854858 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.