CID 4110662

Ethyl 7-methyl-1-(2-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate

Structural Information

Molecular Formula
C23H18N2O5
SMILES
CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC=CC=C4[N+](=O)[O-])C=CC(=C3)C
InChI
InChI=1S/C23H18N2O5/c1-3-30-23(27)17-13-21(22(26)16-6-4-5-7-20(16)25(28)29)24-18-10-8-14(2)12-15(18)9-11-19(17)24/h4-13H,3H2,1-2H3
InChIKey
BFCVKOIBNPDHQK-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-1-(2-nitrobenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.12158 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.128856 195.4
[M+Na]+ 425.110798 202.5
[M-H]- 401.114304 203.4
[M+NH4]+ 420.155403 207.3
[M+K]+ 441.084738 194.0
[M+H-H2O]+ 385.118840 190.5
[M+HCOO]- 447.119781 216.2
[M+CH3COO]- 461.135431 219.3
[M+Na-2H]- 423.096246 199.1
[M]+ 402.12103142 199.3
[M]- 402.12212858 199.3
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

patents stripe