CID 3042731

60315-52-8

Structural Information

Molecular Formula
C20H17N3O4
SMILES
CN1CCC2=C1N(C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H17N3O4/c1-21-11-10-16-19(25)15-4-2-3-5-17(15)22(20(16)21)12-18(24)13-6-8-14(9-7-13)23(26)27/h2-9H,10-12H2,1H3
InChIKey
RLFYHKGIAOTNFA-UHFFFAOYSA-N
Compound name
1-methyl-9-[2-(4-nitrophenyl)-2-oxoethyl]-2,3-dihydropyrrolo[2,3-b]quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12920 181.9
[M+Na]+ 386.11114 196.9
[M+NH4]+ 381.15574 188.9
[M+K]+ 402.08508 194.1
[M-H]- 362.11464 186.4
[M+Na-2H]- 384.09659 187.4
[M]+ 363.12137 185.1
[M]- 363.12247 185.1
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.