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 184.1
[M+Na]+ 386.11114 191.2
[M-H]- 362.11464 190.4
[M+NH4]+ 381.15574 196.3
[M+K]+ 402.08508 181.9
[M+H-H2O]+ 346.11918 178.9
[M+HCOO]- 408.12012 202.8
[M+CH3COO]- 422.13577 211.7
[M+Na-2H]- 384.09659 188.6
[M]+ 363.12137 184.0
[M]- 363.12247 184.0
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.