CID 4247677

361194-42-5

Structural Information

Molecular Formula
C22H20N4O4
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C22H20N4O4/c1-13-19(22(28)25-18-7-2-3-12-23-18)20(14-8-10-15(11-9-14)26(29)30)21-16(24-13)5-4-6-17(21)27/h2-3,7-12,20,24H,4-6H2,1H3,(H,23,25,28)
InChIKey
HLLSKQLZAZEYAX-UHFFFAOYSA-N
Compound name
2-methyl-4-(4-nitrophenyl)-5-oxo-N-pyridin-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

404.14847 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15575 193.2
[M+Na]+ 427.13769 196.2
[M-H]- 403.14119 199.0
[M+NH4]+ 422.18229 199.1
[M+K]+ 443.11163 186.1
[M+H-H2O]+ 387.14573 185.9
[M+HCOO]- 449.14667 208.6
[M+CH3COO]- 463.16232 218.9
[M+Na-2H]- 425.12314 197.5
[M]+ 404.14792 186.4
[M]- 404.14902 186.4
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.