CID 2894119

4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-n-(6-methylpyridin-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C25H25ClN4O4
SMILES
CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C(=O)CC(C3)(C)C)C
InChI
InChI=1S/C25H25ClN4O4/c1-13-6-5-7-20(27-13)29-24(32)21-14(2)28-18-11-25(3,4)12-19(31)23(18)22(21)16-10-15(30(33)34)8-9-17(16)26/h5-10,22,28H,11-12H2,1-4H3,(H,27,29,32)
InChIKey
DTKYZMSDGRVEPV-UHFFFAOYSA-N
Compound name
4-(2-chloro-5-nitrophenyl)-2,7,7-trimethyl-N-(6-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.15643 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.16371 212.7
[M+Na]+ 503.14565 228.1
[M+NH4]+ 498.19025 219.8
[M+K]+ 519.11959 220.9
[M-H]- 479.14915 219.2
[M+Na-2H]- 501.13110 219.8
[M]+ 480.15588 217.1
[M]- 480.15698 217.1
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.