CID 3042731

Brn 0901340

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]+ 364.129196 184.1
[M+Na]+ 386.111138 191.2
[M-H]- 362.114644 190.4
[M+NH4]+ 381.155743 196.3
[M+K]+ 402.085078 181.9
[M+H-H2O]+ 346.119180 178.9
[M+HCOO]- 408.120121 202.8
[M+CH3COO]- 422.135771 211.7
[M+Na-2H]- 384.096586 188.6
[M]+ 363.12137142 184.0
[M]- 363.12246858 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.